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)
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 buguwa 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 buguwa 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
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