UVP
Summary
| Name: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
| Synonyms: | uridine vinyl phosphonate |
| Formula: | C11 H16 N2 O8 P |
| Formal charge: | 1 |
| Formula weight: | 335.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
| OpenEye OEToolkits | 2.0.6 | [(~{E})-2-[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanyl)pyrimidin-1-ium-1-yl]-4-methoxy-3-oxidanyl-oxolan-2-yl]ethenyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | XBCZHNUNHZIGAE-JKXAUABFSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]2ccc(O)nc2O)\C=C\[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[CH](O[CH]1[n+]2ccc(O)nc2O)C=C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC1C(C(OC1[n+]2ccc(nc2O)O)C=CP(=O)(O)O)O |
