0CH

4-hydroxybutyl trihydrogen diphosphate

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

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count25
Aromatic Bond Count0
2D diagram of 0CH

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-hydroxybutyl trihydrogen diphosphate
Systematic Name (OpenEye OEToolkits)4-oxidanylbutyl phosphono hydrogen phosphate
FormulaC4 H12 O8 P2
Molecular Weight250.081
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(OCCCCO)O
SMILESCACTVS3.370OCCCCO[P](O)(=O)O[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6C(CCOP(=O)(O)OP(=O)(O)O)CO
Canonical SMILESCACTVS3.370 OCCCCO[P](O)(=O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 C(CCOP(=O)(O)OP(=O)(O)O)CO
InChIInChI1.03 InChI=1S/C4H12O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)
InChIKeyInChI1.03 OLLDOFHGCGXIPA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 60150351