C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro- (9CI, ACI)
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 548.56 | - |
| Puing Leaghaidh (Deuchainneach) | 118-120 °C | - |
| Dlùths (Ro-innse) | 1.38±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)C2F
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](F)[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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7 -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26-,27-,28-/m1/s1
Iuchair InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ainm eile airson an stuth seo
5′-O-[Bis(4-methocsaiphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Togalaichean a tha rim faighinn
Teirmeach
Teirmeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Puing Leaghaidh | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Speactra ri fhaighinn
1H NMR
13C NMR
| Togalaichean a tha rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dlùths |
| Lipinski |
| Co-cheangailte ri Structar |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 3580 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3580 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3580 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3580 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3580 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3580 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3570 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3430 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2500 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 689 | 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 | 12200 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 12200 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 12200 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 12200 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 12200 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 12200 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 12100 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 11700 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 8480 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 2340 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 4.98 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.96 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 4.82 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 4.26 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 9.9 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.4 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.0 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd mais | 9.9 x 10-5 g/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 1.8 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.5 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 9.2 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 548.56 | ||
| 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 | 1.38±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 395.8±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 | 10 | (1) ACD | |
| Gabhadairean H | 9 | (1) ACD | |
| Luchd-tabhartais H | 2 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 11 | (1) ACD | |
| logP | 4.979±0.563 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 548.56 |
(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 | 107 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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