C30H29FN2O7 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'- fluoro- (9CI, ACI)
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 548.56 | - |
Meesha dhalaalaysa (Tijaabo) | 118-120 °C | - |
Cufnaanta (La saadaaliyay) | 1.38±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)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
Furaha InChi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Magaca kale ee walaxdan
5'-O-[Bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluorouridine (ACI)
Guryaha la heli karo
kulaylka
kulaylka
Hanti | Qiimaha | Xaalad | Xigasho |
Meesha dhalaalaysa | 118-120 °C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra waa la heli karaa
1H NMR
13C NMR
Guryaha la heli karo |
Nafley |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 3580 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3580 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3580 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3580 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3580 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3580 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3570 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3430 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2500 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 689 | 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 | 12200 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 12200 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 12200 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 12200 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 12200 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 12200 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 12100 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 11700 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 8480 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 2340 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 4.98 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 4.96 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 4.82 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 4.26 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 4.979±0.563 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 9.9 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.9 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.4 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.0 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Xalka tirada badan | 9.9 x 10-5 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 1.8 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 9.2 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 548.56 | ||
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 | 1.38±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 395.8± 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 | 10 | (1) ACD | |
H Aqbalayaasha | 9 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 11 | (1) ACD | |
logP | 4.979±0.563 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 548.56 |
(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 | 107 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