![C38h49no7 1- pyrrolroidinedodecanodacyanoic asam, 2- [[bis (4-metexypenly) ethylm] -4-hydroxy-λ-oxo-, (2s) - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
C38h49no7 1- pyrrolroidinedodecanodacyanoic asam, 2- [[bis (4-metexypenly) ethylm] -4-hydroxy-λ-oxo-, (2s) - (ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 631.80 | - |
| Titik Giling (diprediksi) | 779,4 ± 60,0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1.154 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 4.78 ± 0.10 | Temp paling asam: 25 ° C |
Mesem canonical o = c (o) cccccccccc (= o) n1cc (o) cc1coc (o) cc1coc (c = 2c = c4 = c3 = c3) c3 = c3 = c3 = c3
Mesem isomerik c (OC @ h] 1n (c (ccccccccccccccccccccccccccc (oc) c1 = c3) c3 = c3) c4 = c3 = c3 = c3
INCI
Kopi = 1s / c38h49no7 / C1-44-34-22-18-30 (19-23-34) 39-11-3-29-31-151) 46-21-32--33 (40) 27-39 (32) 36 (41) 16-12-7-5--4-6-8-13-17-37 (42) 43 / H9-11.14-15,1,12-13-13,16-17,17, (H, 42,43) / t32-, 33 + / m0 / s1
Kunci inci
Ceyltmdxadtbel-jhousysjsa-n
1 Jeneng liyane kanggo zat iki
(2S, 4R) -2 - [[BIS (4-Mantexyphenyp)] PhenyLmethoSl) -4-Hydroxy-λ-oxo-1-pyrrolidinedodecyanoam asam (ACI)
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 2.46 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.46 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.42 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.11 X 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 92400 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 14000 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1510 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 192 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 58.6 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 45.3 | 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 | 2.52 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 2.51 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 2.47 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 94500 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 14300 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1550 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 196 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 59.9 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 46.3 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.40 | PH 1; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| logd | 7.40 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.39 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.97 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.15 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 5.19 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.29 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.77 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.66 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1,5 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3,5 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.3 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,021 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.17 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.55 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.69 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-3 g / l | Banyu banyu sing ora dibedakake 5.73; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 2.1 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.1 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.1 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.4 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 5.5 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.6 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.4 x 10-5 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 1.1 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.1 x 10-6 mol / l | Banyu banyu sing ora dibedakake 5.73; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 631.80 | ||
| PKA | 4.78 ± 0.10 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -2.31 ± 0,60 | Umume Temp: 25 ° C | (1) ACD |
| Meksa uap | 1.42 x 10-25 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 | 1.154 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 547.3 ± 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 | 20 | (1) ACD | |
| H Nampa | 8 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 10 | (1) ACD | |
| logp | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 631.80 |
(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 | 106 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 | 779,4 ± 60,0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 118.97 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 425.2 ± 32.9 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
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