C30H29FN2O7 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'- fluoro- (9CI, ACI)
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 548.56 | - |
Wurin narkewa (Gwaji) | 118-120 ° C | - |
Girma (An annabta) | 1.38± 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)C2F
Isomeric SMILES C (OC [C@H] 1O[C@H] ([C@H] (F) [C@@H] 1O) 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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7) -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChi Key
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Wani Sunan Wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)
Properties akwai
Thermal
Thermal
Dukiya | Daraja | Sharadi | Source |
Matsayin narkewa | 118-120 ° C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus
Spectra akwai
1H NMR
13C NMR
Properties akwai |
Halittu |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 3580 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3580 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3580 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3580 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3580 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3580 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3570 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3430 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2500 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 689 | 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 | 12200 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 12200 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 12200 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 12200 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 12200 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 12200 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 12100 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 11700 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 8480 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 2340 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 4.98 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 4.96 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 4.82 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 4.26 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 4.979± 0.563 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 9.9 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.9 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.4 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.0 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Mass Solubility | 9.9 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 1.8 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.5 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 9.2 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 548.56 | ||
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 | 1.38± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 395.8± 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 | 10 | (1) ACD | |
H Masu karɓa | 9 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 11 | (1) ACD | |
logP | 4.979± 0.563 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 548.56 |
(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 | 107 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