Diphosphoric Acid P-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl) Ester
[CAS 13058-04-3]

Identification

• Name: Diphosphoric Acid P-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl) Ester
• Synonyms: Phosphono [(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl] Hydrogen Phosphate; (E,E)-Farnesyl Diphosphate; (E,E)-Farnesyl Pyrophosphate
• Molecular Formula: C₁₅H₂₈O₇P₂
• Molecular Weight: 382.33
• CAS Registry Number: 13058-04-3
• SMILES: C(O[P](O[P](O)(O)=O)(O)=O)\C=C(\CC\C=C(\CCC=C(C)C)C)C
• InChI: 1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
• InChIKey: VWFJDQUYCIWHTN-YFVJMOTDSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 533.829°C at 760 mmHg (Cal.)
• Flash point: 276.65°C (Cal.)

References

• (1): Miller David J.. Competitive inhibition of aristolochene synthase by phenyl-substituted farnesyl diphosphates: evidence of active site plasticity, Organic & Biomolecular Chemistry, 2007