![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)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl] -2′-O-[(1,1- dimethylethyl)dimethylsilyl] - (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 660.83 | - |
| Dùmhlachd (Ro-innse) | 1.24 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 9.39±0.10 | Teòthachd as searbhach: 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
SMILES Isomeric
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(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
Iuchrach InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Ainmean Eile air son an Fhois so
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 ri fhaighinn
1H NMR
13C NMR
Hetero NMR
Aifreann
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.20 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.12 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.54 x 105 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 42500 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 2.33 x 105 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.33 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.33 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.33 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.33 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.33 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 2.32 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.23 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.62 x 105 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 44800 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 7.32 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 7.18 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 6.62 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 7.334±0.643 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 3.5 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.6 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.0 x 10-5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.9 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-5 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 5.3 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.6 x 10-8 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.8 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 660.83 | ||
| pKa | 9.39±0.10 | Teòthachd as searbhach: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.24 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 528.8 ± 5.0 cm3 / mol | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 13 | (1) ACD | |
| H Luchd-gabhail | 10 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 12 | (1) ACD | |
| logP | 7.334±0.643 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 660.83 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 116 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1H NMR
13C NMR
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