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H6P

Summary
Name:(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Formula:C5 H12 O8 P2
Formal charge:0
Formula weight:262.092 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
OpenEye OEToolkits1.7.2[(E)-3-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(OC\C=C(/C)CO)O
InChIInChI1.03InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
InChIKeyInChI1.03MDSIZRKJVDMQOQ-GORDUTHDSA-N
SMILES_CANONICALCACTVS3.370C\C(CO)=C/CO[P](O)(=O)O[P](O)(O)=O
SMILESCACTVS3.370CC(CO)=CCO[P](O)(=O)O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO
SMILESOpenEye OEToolkits1.7.2CC(=CCOP(=O)(O)OP(=O)(O)O)CO

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數據於2024-11-06公開中

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