Summary
Name: | HYDANTOCIDIN-5'-MONOPHOSPHATE |
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 | [(1R,2S,3R,5S)-1,2-dihydroxy-6,8-dioxo-4-oxa-7,9-diazaspiro[4.4]nonan-3-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 |
InChI | InChI | 1.02b | InChI=1/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/f/h8-9,14-15H |
InChIKey | InChI | 1.02b | HVXIMXHBUJADCC-CAELUUMSDL |
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 |