![C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 548.56 | - |
| Rubha leaghaidh (Deuchainneach) | 118-120 ° C | - |
| Dùmhlachd (Ro-innse) | 1.38 ± 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)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
Iuchrach InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ainm eile do'n t-Suim so
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Togalaichean rim faighinn
Teirmeach
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Rubha leaghaidh | 118-120 ° C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Acids Niùclasach, (2018), 37(4), 232-247, CAplus
Spectra ri fhaighinn
1H NMR
13C NMR
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | 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 a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 12 200 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 12 200 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 12 200 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 12 200 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 12 200 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 12 200 | 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 |
| Mòr-fhuasgladh gnèitheach | 9.9 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.9 x 10-5 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-4 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.0 x 10-4 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Fuasgladh mòr | 9.9 x 10-5 g/L | Uisge gun bhuain pH 7.00;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.8 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.5 x 10-7 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 9.2 x 10-7 mol/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | Uisge gun bhuain pH 7.00;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 548.56 | ||
| 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 | 1.38 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 395.8 ± 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 | 10 | (1) ACD | |
| H Luchd-gabhail | 9 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 11 | (1) ACD | |
| logP | 4.979±0.563 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 548.56 |
(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 | 107 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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