118 re36h44n2o8si Uridine, 5'-o- [bis (4-meteixyphanyl] -2'-o - [(1,1- Dimethylethyl] dimhtethylethyl] dimhtethylethyl
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 660.83 | - |
Kapadhetan (diprediksi) | 1.24 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 9.39 ± 0,10 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1c = cn (c (= o) n1) C2OC (c4) c5 = c5 = c5 = c5) c5 (c) c5 (c) (c) c5
Mesem isomerat
C (OC [C @ h] 1O [C @ h] (c3 = c3) (oc) c5 (oc) c5 (oc) c5 = c3 = c4) c5 = c4 = c5 = c5 = c5 = c5
INCI
Kopi = 1s / c36h44n2o8si / c1-35 (2,3) 47 (6,7) 46-31-21-30 (39-34 (35-33 (3-3-9-8-10-12-2,25-13-12-2,25-13-12-2,25-13-12-2,25-13-12-2,25-13-12-2,25-13-1 17-27 (42-4) 18-14-25) 26-15-5) 20-16-22,40h, 2371-33,29,31-3-7h3, (H, 37,39,41) / T2,3-, 33-, 33-, 33-, 33- / M1 / S1
Kunci inci
Kvhqielphwjpspsy-wxqjyutrsa-n
2 jeneng liya kanggo zat iki
5'-o- [bis (4-meteixyphenht) -2'-o - [(1,1-dimethylsilyl] Uridine (ACI); 2'-o-terddimethylilylSilyl-5'-o- (4,4'- DimethoxyTrityl) Uridin
Spektrum kasedhiya
1h nmr
13c NMR
Hetero nmr
Massa
Properties kasedhiya |
Biologis |
Kimia |
Kapadhetan |
Lipinski |
Struktur sing gegandhengan |
Biologis
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 2.21 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.21 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.21 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.21 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.21 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.20 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2.12 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.54 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 42500 | 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 | 2.33 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Koc | 2.32 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 2.23 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 44800 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 7.33 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 7.33 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 7.33 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 7.33 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 7.33 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 7.32 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.18 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.62 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.334 ± 0.643 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 3,5 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.6 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.0 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.9 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-5 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 5.3 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 5.3 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.5 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 7.6 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.8 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.3 x 10-8 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 660.83 | ||
PKA | 9.39 ± 0,10 | Temp paling asam: 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 | 1.24 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 528.8 ± 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 | 13 | (1) ACD | |
H Nampa | 10 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Sumrah Panampa | 12 | (1) ACD | |
logp | 7.334 ± 0.643 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 660.83 |
(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 | 116 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR