H26
Summary
| Name: | {2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid |
| Synonyms: | 9-(2-phosphonoethoxyethyl)hypoxanthine |
| Formula: | C9 H13 N4 O5 P |
| Formal charge: | 0 |
| Formula weight: | 288.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-(6-oxo-1H-purin-9-yl)ethoxy]ethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CCOCCn1c2N=CNC(=O)c2nc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)CCOCCn1cnc2C(=O)NC=Nc12 |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)CCOCCn1cnc2C(=O)NC=Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N4O5P/c14-9-7-8(10-5-11-9)13(6-12-7)1-2-18-3-4-19(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17) |
| InChIKey | InChI | 1.03 | ARUATFPHVPUVFJ-UHFFFAOYSA-N |
