0CJ

4-oxopentyl trihydrogen diphosphate

Created: 2011-12-08
Last modified:  2012-08-31

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count26
Aromatic Bond Count0
2D diagram of 0CJ

Chemical Component Summary

Name4-oxopentyl trihydrogen diphosphate
Systematic Name (OpenEye OEToolkits)4-oxidanylidenepentyl phosphono hydrogen phosphate
FormulaC5 H12 O8 P2
Molecular Weight262.092
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(OCCCC(=O)C)O
SMILESCACTVS3.370CC(=O)CCCO[P](O)(=O)O[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6CC(=O)CCCOP(=O)(O)OP(=O)(O)O
Canonical SMILESCACTVS3.370 CC(=O)CCCO[P](O)(=O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 CC(=O)CCCOP(=O)(O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C5H12O8P2/c1-5(6)3-2-4-12-15(10,11)13-14(7,8)9/h2-4H2,1H3,(H,10,11)(H2,7,8,9)
InChIKeyInChI1.03 KREMOGYKSOVBKI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 44363149
ChEMBL CHEMBL144712