3,7-Dimethylocta-2,6-dienyl phosphono hydrogen phosphate

HCID 734

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Basic information

CAS: 13100-81-7
Standard SMILES: CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
InChIKey: GVVPGTZRZFNKDS-UHFFFAOYSA-N
Molecular formula: C10H20O7P2
Average molar mass: 314.21 g/mol
Monoisotopic mass: 314.06842697

Overview

3,7-Dimethylocta-2,6-dienyl phosphono hydrogen phosphate has been reported in Citrus reticulata, Flavobacterium, and other organisms with data available.

Names & identifiers

Preferred name: 3,7-Dimethylocta-2,6-dienyl phosphono hydrogen phosphate
IUPAC: 3,7-dimethylocta-2,6-dienyl phosphono hydrogen phosphate

Names & synonyms

3,7-dimethylocta-2,6-dienyl phosphono hydrogen phosphate13100-81-7SCHEMBL1093683,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphateDTXSID20862405GERANYL PYROPHOSPHATE AMMONIUM 200

Database identifiers

CAS: 13100-81-7
PubChem CID: 734
DTXSID: DTXSID20862405

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 113 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 431

Related reactions

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Compound notes

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