![C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 560.60 | - |
| Dùmhlachd (Ro-innse) | 1.35 ± 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)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
Iuchrach InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Ainmean Eile air son an Fhois so
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI);5′-O-(4,4′-Dimethoxytrityl)-2′-O-methyluridine
Spectra ri fhaighinn
1H NMR
Aifreann
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 1240 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1240 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1240 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1240 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1240 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1240 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1230 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1190 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 861 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 238 | 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 | 5690 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 5690 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 5690 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 5690 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 5690 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 5690 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 5670 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Còc | 5450 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 3960 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 1100 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 3;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | 4.37 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | 4.35 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | 4.21 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | 3.66 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | 4.372±0.582 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 3.7 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.8 x 10-4 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.3 x 10-4 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.9 x 10-3 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | Uisge gun bhacadh pH 6.99;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 6.6 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.8 x 10-7 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 9.4 x 10-7 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.4 x 10-6 mol/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | Uisge gun bhacadh pH 6.99;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 560.60 | ||
| 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 | 1.35 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | Meud 412.9 ± 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 | 11 | (1) ACD | |
| H Luchd-gabhail | 10 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 12 | (1) ACD | |
| logP | 4.372±0.582 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 560.60 |
(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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