118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 660.83 | - |
Cufnaanta (La saadaaliyay) | 1.24± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 9.39±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O[Si](C)(C)C(C)(C)C
Dhoola-caddeyn
C (OC[C@H]1O[C@H]([C@H](O[Si](C =O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Furaha InChi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Magacyo kale oo Walaxdan ah
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimetoxytril)uridine
Spectra waa la heli karaa
1H NMR
13C NMR
Hetero NMR
Mass
Guryaha la heli karo |
Nafley |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 2.21 x 105 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.21 x 105 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.21 x 105 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.21 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.21 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.21 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.20 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2.12 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.54 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 42500 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 2.33 x 105 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 2.32 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 2.23 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 44800 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 7.33 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 7.32 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 7.18 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 6.62 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 7.334±0.643 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 3.5 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.6 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.0 x 10-5 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.9 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.5 x 10-5 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 5.3 x 10-8 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 5.3 x 10-8 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.5 x 10-8 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 7.6 x 10-8 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.8 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-8 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 660.83 | ||
pKa | 9.39±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
Hanti | Qiimaha | Xaalad | Xigasho |
Cufnaanta | 1.24± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 528.8± 5.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 13 | (1) ACD | |
H Aqbalayaasha | 10 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 12 | (1) ACD | |
logP | 7.334±0.643 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 660.83 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Aagga dusha sare ee Polar | 116 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR