UOA
Summary
| Name: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| Formula: | C11 H17 N2 O10 P |
| Formal charge: | 0 |
| Formula weight: | 368.234 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,4-dimethoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC1C(OC(C1O)(OC)COP(O)(=O)O)N2C(NC(=O)C=C2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | PQPFDVLUCHRYPP-PKIKSRDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1[C@H](O)[C@](CO[P](O)(O)=O)(OC)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC1C(C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O |
