A1ANT
Summary
| Name: | [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
| Formula: | C9 H15 N2 O14 P3 |
| Formal charge: | 0 |
| Formula weight: | 468.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H15N2O14P3/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-22-8)23-27(18,19)25-28(20,21)24-26(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6-,8-/m1/s1 |
| InChIKey | InChI | 1.06 | JSABWHHNWKQTOZ-ATRFCDNQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN([C@@H]2OC[C@@H](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@H]2O)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN([CH]2OC[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]2O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)C2C(C(CO2)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
