![C44H49N5o7si adenosine, n-benzoyl-5'-o- [BIS (4-meteixyphanyl] -2'- O - [(9,1-Dimethylihyl]](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7si adenosine, N-benzoyl-5'-o- [BIS (4-meteixyphanyL] -2'- o - [(9,1-Dimethylsythyl] dimhethylethyl](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5o7si adenosine, n-benzoyl-5'-o- [BIS (4-meteixyphanyl] -2'- O - [(9,1-Dimethylihyl]
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 787.98 | - |
| Kapadhetan (diprediksi) | 1.23 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 7.87 ± 0.43 | Temp paling asam: 25 ° C |
Mesem kanonik
O = c (nc1 = nc = nc2 = c1n = cn2c3Oc (com = c3 = c5) c5 (c) c3 (c) (c) (c) (c) c)
Mesem isomerat
C (OC [C @ h] 1O [C @ H] ([C) (C) (n = C2) = c (n C (= = o) c4 = cc = cc = c4) n = cn3) (c5 = c5 = c5) (oc) c5 (oc) c7 = c6 = c7 = c7 = c7 = c7 = c7 = c7
INCI
Kopi = 1s / c44h49n5o7si / c1-43 (2,3) 57 (6,7) 56-5-42 (35-28-46-40 (35-41 (51) 29-14-10-8-11-15-2 9) 26-54-44 (30-16-17-9-17-2-17-2-33 (52-2) 3-21-3) 25-21-25,27-28,35,3-28,35,3-77, (H,
45,46,48,51) / t35-, 37-, 38-, 42- / m1 / s1
Kunci inci
Dazigopasnjpcj-gnecsiwsa-n
2 jeneng liya kanggo zat iki
N-benzoyl-5'-o- [BIS (4-meteixyphenlyL) -2'-o - [(1,1-dimethylsyine) adenosine (ACI); N6-benzoyl-5'-o- (4,4'- dimethoxyTrityl) -2'-o- (terert-butyldimechylilyl) adenosine
Spektrum kasedhiya
1h nmr
Hetero nmr
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 5.41 x 105 | 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 | 2.01 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 6.87 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 9.08 X 106 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 9.38 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 9.39 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 9.19 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7.53 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Koc | 2.73 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 4.48 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.31 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 9.62 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 10.15 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 10.27 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 10.29 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 10.29 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 10.28 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 10.19 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 9.75 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 8.97 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 8.43 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 10.291 ± 0708 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 4.8 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1,4 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.0 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.0 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.0 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3,5 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 7.6 x 10-5 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-6 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1,4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.1 x 10-9 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.8 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-9 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 1.3 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4,5 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.8 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 9.6 x 10-8 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-9 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 787.98 | ||
| PKA | 7.87 ± 0.43 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 1.39 ± 0,10 | Umume 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 | 1.23 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 639.5 ± 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 | 14 | (1) ACD | |
| H Nampa | 12 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 14 | (1) ACD | |
| logp | 10.291 ± 0708 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 787.98 |
(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 | 139 A2 | (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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