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Summary

Name:3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
Synonyms:ISOPENTENYL PYROPHOSPHATE
Formula:C5 H12 O7 P2
Formal charge:0
Molecular weight:246.092 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-methylbut-3-en-1-yl trihydrogen diphosphate
OpenEye OEToolkits1.5.03-methylbut-3-enyl phosphono hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OP(=O)(O)O)(OCC\C(=C)C)O
SMILES_CANONICALCACTVS3.341CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O
SMILESCACTVS3.341CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0CC(=C)CCOP(=O)(O)OP(=O)(O)O
InChIInChI1.03InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChIKeyInChI1.03NUHSROFQTUXZQQ-UHFFFAOYSA-N