![C13h13no5 1h-pyrano [3,4-f] Indolizine-3,6,10 (4h) -Trione, 4-etil-7,8-Dihydro-4- Hydroxy-, (4S) - (9CE, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13h13no5 1h-pyrano [3,4-f] Indolizine-3,6,10 (4h) -Troksdro-4- Hydroxy - (4S) - (9S) - (9S) - (9S), Hydrxy](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13h13no5 1h-pyrano [3,4-f] Indolizine-3,6,10 (4h) -Trione, 4-etil-7,8-Dihydro-4- Hydroxy-, (4S) - (9CE, ACI) H319, H302
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 263.25 | - |
| Lelting Point (Eksperimen) | 177.1-178,3 ° C | - |
| Titik Giling (diprediksi) | 666.6 ± 55.0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1,50 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 11.20 ± 0,20 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1c2 = c (c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Mesem isomerik c (c @ @ @] 1 (o) c2 = c (c (= o) n3c (= o) c (= o) cc3) cc1 = o
INCI
Kopi = 1s / c13h13no5 / c1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 7 (8) 7 / h5,18h, 2-4,67- / / 3,6/3/3
Kunci inci
Igkwogmvaoyvsj-zdusscgksa-n
5 jeneng liya kanggo zat iki
(4s) -4-etyl-7,8-Dihydro-4-Hydroxy-1h-Pyrano [3,4-f] Indolizine-3,6,10 (4h) -Trione (ACI); 1h-Pyrano [3,4-f] Indolizine-3,6,10 (4h) -Trione, 4- Ethyl-7,8-Dihydro-4-Hydroxy -, (ZCI); (4s) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) trione; (4s) -4-etyl-4-
hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizine-3,6,10-trione; (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -Trione
| Properties kasedhiya |
| Optik lan nyebarake |
| Termal |
Optik lan nyebarake
| Properti | Regane | Kondisi | Sumber |
| Daya rotatory optik | +120,6 deg | C: 0,62 g / 100ml; Solvent: Chloroform | (1) IC |
| Daya rotatory optik | +120.57 Deg | C: 0,62 g / 100ml; Solvent: Chloroform; Temp: 20 ° C | (2) IC |
| Daya rotatory optik | +119.57 Deg | C: 1.0 g / 100ml; Solvent: Chloroform; λ: 589.3 NM; Temp: 25 ° C | (3) cas |
| Daya rotatory optik | +119.57 derajat · ml / g · dm | C: 1.0 g / 100ml; Solvent: Chloroform; λ: sodium d baris; Temp: 25 ° C | (4) cas |
| Daya rotatory optik | +117,6 deg | C: 0.56 g / 100ml; Solvent: Chloroform; Temp: 23 ° C | (5) IC |
| Daya rotatory optik | +116.14 derajat · ml / g · dm | C: 1.0 g / 100ml; Solvent: Chloroform; λ: sodium d baris; Temp: 26 ° C | (4) cas |
| Daya rotatory optik | +96 deg | C: 0,40 g / 100ML; Temp: 21 ° C | (6) IC |
| Daya rotatory optik | +77.8 Deg | C: 0,62 g / 100ml; Solvent: Chloroform; λ: 589.3 NM; Temp: 25 ° C | (7) cas |
(1) terasawa, hirofumi; Buletin kimia & farmasi, (1989), 37 (12), 3382-5, Caplus
(2) taguwa, hiroaki; Ep220601, A1, 1987, Caplus
(3) henegar, kevin e.; Jurnal saka kimia organik, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Kimia - Jurnal Asia, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Jurnal Masyarakat Kimia, Transaksi Perkin 1: Kimia organik lan bio-organik (1972-1999), (1990) (1), 27-31, caclus
(6) Wani, Mansukh c.; Jurnal kimia kimia, (1987), 30 (12), 2317-19, Caplus
(7) kupuang, Yun-Yan; Acta acta helvetica, (2010), 93 (10), 2094-2099, Caplus
Termal
| Properti | Regane | Kondisi | Sumber | |
| Titik lebur | 183-185 ° C (Decomp) | (1) cas | ||
| Titik lebur | 177.1-178,3 ° C | (2) cas | ||
| Titik lebur | 176-177 ° C (Decomp) | (3) IC | ||
| Titik lebur | 169-170 ° C | Solvent: | Etyl acetate | (4) IC |
(1) kupuang, Yun-Yan; Acta acta helvetica, (2010), 93 (10), 2094-2099, Caplus
(2) henegar, kevin e.; Jurnal saka kimia organik, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Jurnal Masyarakat Kimia, Transaksi Perkin 1: Kimia organik lan bio-organik (1972-1999), (1990) (1), 27-31, caclus
(4) Wani, Mansukh c.; Jurnal kimia kimia, (1987), 30 (12), 2317-19, Caplus
Spektrum kasedhiya
1h nmr
Massa
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
| Properti | Regane | Kondisi | Sumber |
| Koc | 7.37 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 7; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Koc | 7.37 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.33 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 6.94 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.96 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.936 ± 0,842 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 371 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 392 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 371 g / l | Banyu banyu sing ora dibedakake 5.53; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1.41 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.41 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.41 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.41 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.41 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.41 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber | |
| Kelarutan molar | 1.41 mol / l | pH 6; Temp: 25 ° C | (1) ACD | |
| Kelarutan molar | 1.41 mol / l | pH 7; Temp: 25 ° C | (1) ACD | |
| Kelarutan molar | 1.41 mol / l | PH 8; Temp: 25 ° C | (1) ACD | |
| Kelarutan molar | 1.41 mol / l | PH 9; Temp: 25 ° C | (1) ACD | |
| Kelarutan molar | 1.49 mol / l | PH 10; Temp: 25 ° C | (1) ACD | |
| Kelarutan molar | 1.41 mol / l | Banyu banyu sing ora dibedakake 5.53; Temp: 25 ° C | (1) ACD | |
| Bobot molekuler | 263.25 | |||
| PKA | 11.20 ± 0,20 | Temp paling asam: 25 ° C | (1) ACD | |
| PKA | -2.24 ± 0,40 | Umume Temp: 25 ° C | (1) ACD | |
| Meksa uap | 1.29 x 10-20 | Torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
| Properti | Regane | Kondisi | Sumber |
| Kapadhetan | 1,50 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 2 | (1) ACD | |
| H Nampa | 6 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Sumrah Panampa | 7 | (1) ACD | |
| logp | -0.936 ± 0,842 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 263.25 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Area permukaan polar | 83.9 A2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Termal
| Properti | Regane | Kondisi | Sumber |
| Titik Giling | 666.6 ± 55.0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 112.17 ± 6.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 357,0 ± 31,5 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
| Kode | Statement bahaya | Sumber |
| H319 | Nyebabake gangguan mripat serius | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
| H302 | Mbebayani yen ditelan | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
Informasi Bisnis Confidential: Umum
| Regulasi sinonim | ||
| (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyranno (3,4-f) Indolizine-3,6,10 (4h) -Trione | - | Prancis |
| (S) -4-etyl-4-hydroxy-7,8-dihybro-1h-pyranno [3,4-f] Indolizine-3,6,10 (4h) -Trione | - | Prancis |
| (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) Indolizin-3,6,10 (4h) -Trion | - | Denmark, Jerman |
| (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) Indolizine-3,6,10 (4h) -Trion | - | Belanda |
| (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizin-3,6,10 (4h) -Trion | - | Denmark, Jerman |
| (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizine-3,6,10 (4h) -Trion | - | Belanda |
| (S) -4-etyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -Trione | - | - |
| (S) -4-etil-4-hidroxi-7,8-dihidro-1h-pirano (pirano (3,4-f) Indolizina-3,6,10 (4h) -triona | - | Portugis, Spanyol |
| (S) -4-etil-4-hidroxi-7,8-dihidro-1h-pirano [3,4-f] indolizina-3,6,10 (4h) -triona | - | Portugis, Spanyol |
| (S) -4-etil-4-idrossi-7,8-diidro-1h-pirano (3,4-f) Indolizin-3,6,10 (4h) -Trione | - | Italia |
| (S) -4-etil-4-idrossi-7,8-diidro-1h-pirano [3,4-f] Indolizin-3,6,10 (4h) -Trione | - | Italia |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano (3,4-f) Indolizin-3,6,10 (4h) -Trion | - | Swedia |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4h) -Trion | - | Swedia |
| (S) -4-ettyyli-4-hydroxsi-7,8-dihydro-1h-pyrano (3,4-f) indolitsiini-3,6,10 (4h) -trioni | - | Finnish |
| (S) -4-ettyli-4-hydroxsi-7,8-dihydro-1h-pyrano [3,4-f] indolitsiini-3,6,10 (4h) -trioni | - | Finnish |
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