![118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)
| Key Physical Properties | Wearde | Betingst |
| Molekuul gewicht | 660.83 | - |
| Tichtheid (foarsein) | 1,24±0,1 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (foarsein) | 9,39±0,10 | Meast soere Temp: 25 °C |
Canonical SMILES 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
Isomere SMILES
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 Oare nammen foar dizze stof
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 beskikber
1H NMR
13C NMR
Hetero NMR
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Tichtheid |
| Lipinski |
| Struktuer Related |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 2,21 x 105 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,21 x 105 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,21 x 105 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,21 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,21 x 105 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,21 x 105 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,20 x 105 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2,12 x 105 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,54 x 105 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 42500 | pH 10;Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 2,33 x 105 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 2,33 x 105 | pH 6;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 2,32 x 105 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 2,23 x 105 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 44800 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 1;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 7.33 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 7.32 | pH 8;Temp: 25 °C | (1) ACD |
| logD | 7.18 | pH 9;Temp: 25 °C | (1) ACD |
| logD | 6.62 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 7.334±0.643 | Temp: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 3,5 x 10-5 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,6 x 10-5 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,0 x 10-5 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,9 x 10-4 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,5 x 10-5 g/L | Unbuffered wetter pH 7,00;Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 5,3 x 10-8 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,5 x 10-8 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 7,6 x 10-8 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 2,8 x 10-7 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-8 mol/L | Unbuffered wetter pH 7,00;Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 660.83 | ||
| pKa | 9,39±0,10 | Meast soere Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tichtheid
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,24±0,1 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molar Volume | 528,8±5,0 cm3/mol | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij draaibare obligaasjes | 13 | (1) ACD | |
| H Aksepteurs | 10 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor / Akseptor Sum | 12 | (1) ACD | |
| logP | 7.334±0.643 | Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 660.83 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Polar Surface Area | 116 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
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