L8P
Summary
| Name: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid |
| Synonyms: | Cidofovir |
| Formula: | C8 H14 N3 O6 P |
| Formal charge: | 0 |
| Formula weight: | 279.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid |
| OpenEye OEToolkits | 1.7.0 | [(2S)-1-(4-azanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)N(C[C@@H](CO)OC[P](O)(O)=O)C=C1 |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | VWFCHDSQECPREK-LURJTMIESA-N |
