![C20H31NO5 Heptano Asam Heptano, 3- Hydroxy-5-Methylmethoxy) Carbonyl] Amino] -, 1R- (3R *, 4R](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Heptano Acam Heptano, 3- Hydroxy-5-Methylmoxy
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 365.46 | - |
| Titik Giling (diprediksi) | 504.1 ± 50,0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1.091 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 11,82 ± 0.46 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (occ = 1c = cc = cc = cc1) nc (c (o) cc (= o) oc (c) cc) c (c) cc
Esomeric mesem [C @ h] ([C @@ h] (CC (oc (c) (nc) (cc) (c) c-) [C @)
INCI
Kopi = 1s / c20h31no5 / C1-6-14 (2) 18 (16 (16) 12-17 (23-13-9-111-8-7-9-1117-16,18,22 H3, (h, 21,24) / t14-, 16 +, 18- / m0 / m0 / s1
Kunci inci
Aztsbawjrolriq-lescarosa-n
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 616 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 617 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 616 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 604 | 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 | 3450 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3450 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 3390 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 1; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| logd | 3.97 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.96 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 0,062 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,062 g / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 365.46 | ||
| PKA | 11,82 ± 0.46 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -1.56 ± 070 | Umume Temp: 25 ° C | (1) ACD |
| Meksa uap | 5.56 x 10-11 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 | 1.091 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 334.7 ± 3.0 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 | 12 | (1) ACD | |
| H Nampa | 6 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 8 | (1) ACD | |
| logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 365.46 |
(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 | 84.9 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 | 504.1 ± 50,0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 81.44 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 258,6 ± 30,1 ° 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 |
| H301 | Beracun yen ditelan | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
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