C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 560.60 | - |
Boima (bo boletsoeng esale pele) | 1.35±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
pKa (E boletsoeng esale pele) | 9.39±0.10 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososo tsa Canonical O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2OC
Isomeric SMILES 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
Senotlolo sa InChi
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Mabitso a Mang a Ntho ena
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5′-O-(4,4′-Dimethoxytrityl)-2′-O-methyluridine
Spectra e fumaneha
1H NMR
Mmisa
Thepa e teng |
Likokoana-hloko |
Lik'hemik'hale |
Botenya |
Lipinski |
Sebopeho se Amanang |
Likokoana-hloko
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 1240 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1240 | pH 6; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1230 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1190 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 861 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 238 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
Thepa | Boleng | Boemo | Mohloli |
Koc | 5690 | pH 1; Mocheso: 25 °C | (1) ACD |
Koc | 5690 | pH 2; Mocheso: 25 °C | (1) ACD |
Koc | 5690 | pH 3; Mocheso: 25 °C | (1) ACD |
Koc | 5690 | pH 4; Mocheso: 25 °C | (1) ACD |
Koc | 5690 | pH 5; Mocheso: 25 °C | (1) ACD |
Koc | 5690 | pH 6; Mocheso: 25 °C | (1) ACD |
Koc | 5670 | pH 7; Mocheso: 25 °C | (1) ACD |
Koc | 5450 | pH 8; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 3960 | pH 9; Mocheso: 25 °C | (1) ACD |
Koc | 1100 | pH 10; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 1; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 2; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 3; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | 4.37 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | 4.35 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | 4.21 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | 3.66 | pH 10; Mocheso: 25 °C | (1) ACD |
logP | 4.372±0.582 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 3.7 x 10-4 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.8 x 10-4 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 5.3 x 10-4 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.9 x 10-3 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.7 x 10-4 g/L | Metsi a sa tsitsang pH 6.99; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 6.6 x 10-7 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molar Solubility | 6.6 x 10-7 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.8 x 10-7 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 9.4 x 10-7 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.4 x 10-6 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol/L | Metsi a sa tsitsang pH 6.99; Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 560.60 | ||
pKa | 9.39±0.10 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
Thepa | Boleng | Boemo | Mohloli |
Botenya | 1.35±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molar | 412.9±5.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Thepa | Boleng | Boemo | Mohloli |
Li-Bonds tse ka fetolehang ka bolokolohi | 11 | (1) ACD | |
H Ba amohelang | 10 | (1) ACD | |
H Bafani | 2 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 12 | (1) ACD | |
logP | 4.372±0.582 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 560.60 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
Thepa | Boleng | Boemo | Mohloli |
Sebaka sa Polar Surface | 116 A2 | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR