118 Re36H44N2O8Si Uridina, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 660.83 | - |
Density (voavinavina) | 1,24±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)C2O[Si](C)(C)C(C)(C)C
SMILES Isomerique
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[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/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32) )38-22-21-30(39)37-34(38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28(43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3, (H,37,39,41)/t29-,31-,32-,33-/m1/s1
InChI Key
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Anarana hafa ho an'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytrityl)uridine
Spectra misy
1H NMR
13C NMR
Hetero NMR
-bahoaka
Properties misy |
niteraka |
simika |
hakitroky |
Lipinski |
Structure Related |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 2.21 x 105 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.20 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2.12 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1,54 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 42500 | 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 | 2.33 x 105 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 2.32 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 2.23 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 44800 | pH 10; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 1; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 2; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 3; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 4; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 5; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 6; Mafana: 25 °C | (1) ACD |
logD | 7.33 | pH 7; Mafana: 25 °C | (1) ACD |
logD | 7.32 | pH 8; Mafana: 25 °C | (1) ACD |
logD | 7.18 | pH 9; Mafana: 25 °C | (1) ACD |
logD | 6.62 | pH 10; Mafana: 25 °C | (1) ACD |
logP | 7.334±0.643 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 3,5 x 10-5 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,6 x 10-5 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,0 x 10-5 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 1,9 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 3,5 x 10-5 g/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 5,3 x 10-8 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 5,3 x 10-8 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,5 x 10-8 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 7,6 x 10-8 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,8 x 10-7 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,3 x 10-8 mol/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 660.83 | ||
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 | 1,24±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
Boky molar | 528.8±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 | 13 | (1) ACD | |
H Acceptors | 10 | (1) ACD | |
H Mpanome | 2 | (1) ACD | |
H Donor/Acceptor Sum | 12 | (1) ACD | |
logP | 7.334±0.643 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 660.83 |
(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