SFV
Summary
| Name: | [[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid |
| Formula: | C10 H18 N3 O12 P3 |
| Formal charge: | 0 |
| Formula weight: | 465.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,14H,3-5H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | YHOBQJYELBYSJU-LKEWCRSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O2 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O |
