6W7
Summary
| Name: | [(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid |
| Synonyms: | [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid |
| Formula: | C10 H14 N5 O5 P |
| Formal charge: | 0 |
| Formula weight: | 315.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | YFBRPISOXMPUHB-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CO[C@H]1CNC[C@H]1n2cnc3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CO[CH]1CNC[CH]1n2cnc3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1nc2c(n1C3CNCC3OCP(=O)(O)O)N=CNC2=O |
