24H
Summary
| Name: | {[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid |
| Formula: | C9 H14 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 319.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)COC(CO)Cn1c2N=C(NC(=O)c2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(C[C@@H](CO)OC[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(C[CH](CO)OC[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CC(CO)OCP(=O)(O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | VXDNQJCXIVLMQW-YFKPBYRVSA-N |
