118 Re36H44N2O8Si Uridine, 5'-O--[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 660.83 | - |
Kachulukidwe (Zonenedweratu) | 1.24±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)C2O[Si](C)(C)C(C)(C)C
Isomeric AMAmwetulira
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 Maina ena a chinthu ichi
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 ilipo
1H NMR
13C NMR
Hetero NMR
Misa
Katundu zilipo |
Zachilengedwe |
Chemical |
Kuchulukana |
Lipinski |
Zogwirizana ndi Kapangidwe |
Zachilengedwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 2.21 x 105 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.21 x 105 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.20 x 105 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2.12 x 105 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.54x105 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 42 500 | 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 | 2.33 x 105 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 2.33 x 105 | pH 6; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 2.32 x 105 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 2.23 x 105 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 44800 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 7.33 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 7.32 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 7.18 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 6.62 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 7.334±0.643 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.5 x 10-5 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.6 x 10-5 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.0 x 10-5 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.9 x 10-4 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 3.5 x 10-5 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 5.3 x 10-8 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 5.3 x 10-8 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.5 x 10-8 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 7.6 x 10-8 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.8 x 10-7 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.3 x 10-8 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 660.83 | ||
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 | 1.24±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 528.8±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 | 13 | (1) ACD | |
H Olandira | 10 | (1) ACD | |
H Opereka | 2 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 12 | (1) ACD | |
logP | 7.334±0.643 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 660.83 |
(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