7-Demethylfarnesyl pyrophosphate
Basic information
- CAS
63408-39-9- Standard SMILES
CC(C)=CCC/C=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O- InChIKey
PQYWWNYCWZKMRU-AVHUIBEFSA-N- Molecular formula
- C14H26O7P2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 368.11537716
Names & identifiers
- Preferred name
- 7-Demethylfarnesyl pyrophosphate
- IUPAC
- [(2E,6E)-3,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
Names & synonyms
7-Demethylfarnesyl pyrophosphate63408-39-9Diphosphoric acid, mono(3,11-dimethyl-2,6,10-dodecatrienyl) ester, (E,E)-RefChem:106002[(2E,6E)-3,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
Database identifiers
- CAS
63408-39-9- PubChem CID
- 6443583
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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