H5P

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Summary

Name:HYDANTOCIDIN-5'-PHOSPHATE
Formula:C7 H11 N2 O9 P
Formal charge:0
Molecular weight:298.144 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]non-7-yl]methyl dihydrogen phosphate
OpenEye OEToolkits1.5.0[(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

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O)(O)=O
SMILESCACTVS3.341O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03HVXIMXHBUJADCC-GTBMBKLPSA-N
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