C31H32N2O8 Uridina, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 560.60 | - |
Density (voavinavina) | 1,35±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
pKa (voavinavina) | 9.39±0.10 | Mafana asidra indrindra: 25 °C |
SMILES Canonical 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)C2OC
SMILES Isomerik C(OC[C@H]1O[C@H]([C@H](OC)[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/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8 -20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
InChI Key
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Anarana hafa ho an'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5′-O-(4,4′-Dimethoxytrityl)-2′-O-methyluridine
Spectra misy
1H NMR
-bahoaka
Properties misy |
niteraka |
simika |
hakitroky |
Lipinski |
Structure Related |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 1240 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1230 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1190 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 861 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 238 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 5690 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 5690 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 5690 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 5690 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 5690 | pH 5; Mafana: 25 °C | (1) ACD |
Koc | 5690 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 5670 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 5450 | pH 8; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 3960 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 1100 | pH 10; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 1; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 2; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 3; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 4; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 5; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 6; Mafana: 25 °C | (1) ACD |
logD | 4.37 | pH 7; Mafana: 25 °C | (1) ACD |
logD | 4.35 | pH 8; Mafana: 25 °C | (1) ACD |
logD | 4.21 | pH 9; Mafana: 25 °C | (1) ACD |
logD | 3.66 | pH 10; Mafana: 25 °C | (1) ACD |
logP | 4.372±0.582 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 3,7 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,8 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,3 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 1,9 x 10-3 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,7 x 10-4 g/L | Rano tsy voaaro pH 6.99; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 6,6 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 6,6 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,8 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 9,4 x 10-7 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 3,4 x 10-6 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 6,6 x 10-7 mol/L | Rano tsy voaaro pH 6.99; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 560.60 | ||
pKa | 9.39±0.10 | Mafana asidra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1,35±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
Boky molar | 412.9±5.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana azo ahodina malalaka | 11 | (1) ACD | |
H Acceptors | 10 | (1) ACD | |
H Mpanome | 2 | (1) ACD | |
H Donor/Acceptor Sum | 12 | (1) ACD | |
logP | 4.372±0.582 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 560.60 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra ambonin'ny polar | 116 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR