C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 560.60 | - |
| Dlùths (Ro-innse) | 1.35±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr |
| pKa (Ro-innse) | 9.39±0.10 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach 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/u4-18,25,27-29,35U,19U2,1-3U3,(U,32,34,36)/t25-,27-,28-,29-/m1/s1
Iuchair InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Ainmean Eile airson an Stuth seo
5′-O-[Bis(4-methocsaifeinil)feinilmeitil]-2′-O-meitiluridin (ACI); 5′-O-(4,4′-Dimethocsaitritil)-2′-O-meitiluridin
Speactra ri fhaighinn
1H NMR
Aifreann
| Togalaichean a tha rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dlùths |
| Lipinski |
| Co-cheangailte ri Structar |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | 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 le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Suidheachadh | 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 | Suidheachadh | 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 |
| So-sgaoilteachd Intrinsic Tomad | 3.7 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.8 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.3 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.9 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-4 g/L | Uisge gun bhùfradh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 6.6 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.8 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 9.4 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.4 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.6 x 10-7 mol/L | Uisge gun bhùfradh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 560.60 | ||
| pKa | 9.39±0.10 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlùths
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.35±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 412.9±5.0 cm3/mol | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 11 | (1) ACD | |
| Gabhadairean H | 10 | (1) ACD | |
| Luchd-tabhartais H | 2 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 12 | (1) ACD | |
| logP | 4.372±0.582 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 560.60 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon Uachdar Pòlach | 116 A2 | (1) ACD | |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
13C NMR
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