K5X
Summary
| Name: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C10 H14 F N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 340.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14FN2O8P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | JAJZLQMRDFLNSW-VPCXQMTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O)F |
