C39H46FN4O8P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) )
Lambar Rijistar CAS
146954-75-8
Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
Nauyin Kwayoyin Halitta | 748.78 | - |
pKa (An annabta) | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)N(C(C)C)C(C)C
MURMUSHI
C (OC[C@H] 1[C@@H](OP(N(C(C))C)C H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5
InChi
InChi= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23- 21-34 (45)42-38 (43)46)25-49-39 (28-11) -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
InChi Key
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Wani Sunan Wannan Abu
Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Yanayi | Source |
Factor na Bioconcentration | 457 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3690 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 27700 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 82900 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.04 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.06 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.06 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.02 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 76200 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 22000 | 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)
Tushen Halin Ƙimar Dukiya |
Koc 592 pH 1; Zazzabi: 25 °C (1) ACD |
Koc 4790 pH 2; Zazzabi: 25 °C (1) ACD |
Koc 36000 pH 3; Zazzabi: 25 °C (1) ACD |
Koc 1.07 x 105 pH 4; Zazzabi: 25 °C (1) ACD |
Koc 1.34 x 105 pH 5; Zazzabi: 25 °C (1) ACD |
Koc 1.38 x 105 pH 6; Zazzabi: 25 °C (1) ACD |
Koc 1.37 x 105 pH 7; Zazzabi: 25 °C (1) ACD |
Koc 1.33 x 105 pH 8; Zazzabi: 25 °C (1) ACD |
Koc 98800 pH 9; Zazzabi: 25 °C (1) ACD |
Koc 28600 pH 10; Zazzabi: 25 °C (1) ACD |
logD 4.55 pH 1; Zazzabi: 25 °C (1) ACD |
logD 5.46 pH 2; Zazzabi: 25 °C (1) ACD |
logD 6.33 pH 3; Zazzabi: 25 °C (1) ACD |
Dukiya | Daraja | Yanayi | Source |
logD | 6.81 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 6.91 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 6.92 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 6.92 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 6.90 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 6.77 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 6.23 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 6.918± 0.641 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 2.2 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.1 x 10-3 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 6.3 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 8.2 x 10-5 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.8 x 10-5 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.2 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.2 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.2 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.2 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.0 x 10-5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.0 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.2 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 2.9 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.8 x 10-6 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.4 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.7 x 10-8 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.0 x 10-8 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.9 x 10-8 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.9 x 10-8 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.0 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.0 x 10-8 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.9 x 10-8 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Nauyin Kwayoyin Halitta | 748.78 | ||
pKa | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.45± 0.70 | Mafi Asalin 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)
Dukiya | Daraja | Yanayi | Source |
Ƙimar Rarraba Kyauta | 17 | (1) ACD | |
H Masu karɓa | 12 | (1) ACD | |
H Masu Ba da taimako | 1 | (1) ACD | |
H Donor/Acceptor Sum | 13 | (1) ACD | |
logP | 6.918± 0.641 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 748.78 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Tushen yanayi |
Wuri Mai Girma | 145 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)