![C31h30n2o7 6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-siji, 2 - [tetrahydro-3-hydroxy-7- methyl-, (2r, 3R, 3AS, 9AR) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31h30n2o7 6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-siji, 2 - [tetrahydro-3-hydroxy-7- methyl-, (2r, 3R, 3AS, 9AR) - (9CI, ACI) Gambar Featured](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31h30n2o7 6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-siji, 2 - [tetrahydro-3-hydroxy-7- methyl-, (2r, 3R, 3AS, 9AR) - (9CI, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 542.58 | - |
| Titik Giling (diprediksi) | 692.9 ± 65.0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1.33 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 12,51 ± 0,60 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1n = c2oc3c (o) c (oc3n2c = c1c) c1c = c5 c6 = c5) c5 c6 = c5
Mesem isomerik c (OC @ h] 1o [C. @_] (oc) (oc) (oc) (oc) (oc) c5 (oc) c6 = c5
INCI
Kopi = 1s / c31h30n2O7 / c1-19-17-33-29-27 (40) 35-2-15-4-61-9-13-21 (33-2-13-23 (33-2-13-23 (36-2-13-21)
) 22-11-15-24 (37-3) 16-12-22 / h4-17,25-27,29,34h, 18h2,1-3h3 / t25-, 26-, 29- / / 29- / / 29-
Kunci inci
Bqeqceznliksh-cithkvlssa-n
1 Jeneng liyane kanggo zat iki
(2r, 3R, 3R, 9A) -2 - [[BIS (4-Manthoxyphenyl) -2,3,3A, 9 ', 3] Pyrimidin-6-siji (ACI)
Spektrum kasedhiya
1h nmr
13c NMR
Massa
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 2800 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2800 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2790 | 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 | 10200 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | pH 5; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Koc | 10200 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 3.6 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.6 x 10-4 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 6.6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 6.6 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.6 x 10-7 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 542.58 | ||
| PKA | 12,51 ± 0,60 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -4.38 ± 0,60 | Umume Temp: 25 ° C | (1) ACD |
| Meksa uap | 3.73 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 | 1.33 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 404.9 ± 7.0 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 | 9 | (1) ACD | |
| H Nampa | 9 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Sumrah Panampa | 10 | (1) ACD | |
| logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 542.58 |
(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 | 99.1 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 | 692.9 ± 65.0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 106,61 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 372.8 ± 34,3 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
