C30H29FN2O7 Uridina, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 548.56 | - |
Teboka fandrehitra (andrana) | 118-120 °C | - |
Density (voavinavina) | 1,38±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)C2F
SMILES Isomerik 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 Anarana hafa amin'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Properties misy
mafana
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Teboka fandoroana | 118-120 °C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acid, (2018), 37(4), 232-247, CAplus
Spectra misy
1H NMR
13C NMR
Properties misy |
niteraka |
simika |
hakitroky |
Lipinski |
Structure Related |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 3580 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3580 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3580 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3580 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3580 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3580 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3570 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 3430 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2500 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 689 | 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 | 12200 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 12200 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 12200 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 12200 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 12200 | pH 5; Mafana: 25 °C | (1) ACD |
Koc | 12200 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 12100 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 11700 | pH 8; Mafana: 25 °C | (1) ACD |
Koc | 8480 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 2340 | pH 10; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 1; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 2; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 3; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 4; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 5; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 6; Mafana: 25 °C | (1) ACD |
logD | 4.98 | pH 7; Mafana: 25 °C | (1) ACD |
logD | 4.96 | pH 8; Mafana: 25 °C | (1) ACD |
logD | 4.82 | pH 9; Mafana: 25 °C | (1) ACD |
logD | 4.26 | pH 10; Mafana: 25 °C | (1) ACD |
logP | 4.979±0.563 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 9,9 x 10-5 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 9,9 x 10-5 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 1,4 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,0 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Mass Solubility | 9,9 x 10-5 g/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 1,8 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,5 x 10-7 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 9,2 x 10-7 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,8 x 10-7 mol/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 548.56 | ||
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 | 1,38±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
Boky molar | 395.8±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 | 10 | (1) ACD | |
H Acceptors | 9 | (1) ACD | |
H Mpanome | 2 | (1) ACD | |
H Donor/Acceptor Sum | 11 | (1) ACD | |
logP | 4.979±0.563 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 548.56 |
(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 | 107 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