118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 660.83 | - |
Girma (An annabta) | 1.24± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
pKa (An annabta) | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES 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)C
MURMUSHI
C (OC[C@H] 1O[C@H]([C@H] (O[Si] =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
InChi Key
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Wasu Sunaye na wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2'-O-tert-Butyldimethylsilyl-5'-O- (4,4'- dimethoxytril) uridine
Spectra akwai
1H NMR
13C NMR
Farashin NMR
Mass
Properties akwai |
Halittu |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 2.21 x 105 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.21 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.21 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.21 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.21 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.21 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.20 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2.12 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.54 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 42500 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Dukiya | Daraja | Sharadi | Source |
Koc | 2.33 x 105 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Koc | 2.32 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 2.23 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 44800 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 7.33 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 7.32 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 7.18 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 6.62 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 7.334± 0.643 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.5 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.6 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.0 x 10-5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.9 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 5.3 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.5 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 7.6 x 10-8 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.8 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.3 x 10-8 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 660.83 | ||
pKa | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
Dukiya | Daraja | Sharadi | Source |
Yawan yawa | 1.24± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 528.8± 5.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Dukiya | Daraja | Sharadi | Source |
Ƙimar Rarraba Kyauta | 13 | (1) ACD | |
H Masu karɓa | 10 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 12 | (1) ACD | |
logP | 7.334± 0.643 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 660.83 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
Dukiya | Daraja | Sharadi | Source |
Wuri Mai Girma | 116 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR