0FV

(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate

Created: 2012-01-04
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count38
Aromatic Bond Count0
2D diagram of 0FV

Chemical Component Summary

Name(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
Synonyms2-fluorogeranyl diphosphate
Systematic Name (OpenEye OEToolkits)[(2Z)-2-fluoranyl-3,7-dimethyl-octa-2,6-dienyl] phosphono hydrogen phosphate
FormulaC10 H19 F O7 P2
Molecular Weight332.2
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(OCC(\F)=C(/C)CC\C=C(/C)C)O
SMILESCACTVS3.370CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6CC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C
Canonical SMILESCACTVS3.370 CC(C)=CCCC(/C)=C(F)/CO[P](O)(=O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C
InChIInChI1.03 InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9-
InChIKeyInChI1.03 BYJNSLXDWGDGAC-KTKRTIGZSA-N

Related Resource References

Resource NameReference
PubChem 3037771