H5P
Summary
| Name: | HYDANTOCIDIN-5'-PHOSPHATE |
| Formula: | C7 H11 N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 298.144 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]non-7-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(5S,6R,7S,8R)-6,7-dihydroxy-1,3-dioxo-9-oxa-2,4-diazaspiro[4.4]nonan-8-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | HVXIMXHBUJADCC-GTBMBKLPSA-N |
