Basic information
- CAS
40716-68-5- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)(O)OP(=O)(O)O- InChIKey
VWFJDQUYCIWHTN-PVMFERMNSA-N- Molecular formula
- C15H28O7P2
- Average molar mass
- 382.33 g/mol
- Monoisotopic mass
- 382.13102722
Overview
2-cis,6-trans-farnesyl diphosphate is a farnesyl diphosphate. It is a conjugate acid of a 2-cis,6-trans-farnesyl diphosphate(3-).
Names & identifiers
- Preferred name
- 2-cis,6-trans-Farnesyl diphosphate
- IUPAC
- phosphono [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
- English name
- Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester
- Molecular formula
- C15H28O7P2
- Molecular weight
- 382.33
Names & synonyms
2-cis,6-trans-farnesyl diphosphate(2Z,6E)-farnesyl diphosphate40716-68-5(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphateCHEBI:19515omega,E,Z-farnesyl diphosphateRefChem:86548(2-cis,6-trans)-Farnesyl Diphosphate1fppCHEMBL1160060SCHEMBL31166048DTXSID901308917
Show more names
LMPR0103010010phosphono [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphateQ27109186Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester
Database identifiers
- CAS
40716-68-5- PubChem CID
- 445683
- DTXSID
DTXSID901308917- ChEMBL
CHEMBL1160060- ChEBI
CHEBI:19515- Nikkaji
- J1.333.744F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Physicochemical properties
- Boiling point
- 533.8 · 533.8±60.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 1.04 · 1.04±0.50(Predicted)
Chemistry & industry
Applications
Uses(2-cis,6-trans)-Farnesyl Diphosphate is a reagent used for research purpose in determining structures and stereochemistry of bisabolyl-derived sesquiterpenes.
Suppliers1 total
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Additional notes
DefinitionChEBI: 2-cis,6-trans-farnesyl diphosphate is a farnesyl diphosphate. It is a conjugate acid of a 2-cis,6-trans-farnesyl diphosphate(3-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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