C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 560.60 | - |
Kachulukidwe (Zonenedweratu) | 1.35±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
pKa (Zonenedweratu) | 9.39±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira 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
InChi Key
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Maina ena a chinthu ichi
5'-O--[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI); 5'-O-(4,4′-Dimethoxytrityl)-2'-O-methyluridine
Spectra ilipo
1H NMR
Misa
Katundu zilipo |
Zachilengedwe |
Chemical |
Kuchulukana |
Lipinski |
Zogwirizana ndi Kapangidwe |
Zachilengedwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 1240 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1240 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1230 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1190 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 861 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 238 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 5690 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 5690 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 5690 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 5690 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 5690 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 5690 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 5670 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 5450 | pH 8; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 3960 pa | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 1100 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 4.37 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 4.35 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 4.21 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 3.66 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 4.372±0.582 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.7 x 10-4 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.8 x 10-4 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.3 x 10-4 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.9 x 10-3 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.7 x 10-4 g/L | Madzi Osasunthika pH 6.99; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 6.6 x 10-7 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 6.6 x 10-7 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.8 x 10-7 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 9.4 x 10-7 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.4 x 10-6 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / L | Madzi Osasunthika pH 6.99; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 560.60 | ||
pKa | 9.39±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
Katundu | Mtengo | Mkhalidwe | Gwero |
Kuchulukana | 1.35±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 412.9±5.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 11 | (1) ACD | |
H Olandira | 10 | (1) ACD | |
H Opereka | 2 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 12 | (1) ACD | |
logP | 4.372±0.582 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 560.60 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Malo a Polar Surface | 116 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR