ChemSpider 2D Image | Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester, ion(3-) | C15H25O7P2

Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester, ion(3-)

  • Molecular FormulaC15H25O7P2
  • Average mass379.304 Da
  • Monoisotopic mass379.109192 Da
  • ChemSpider ID23092868

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester, ion(3-) [ACD/Index Name]
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl diphosphate
(2Z,6E)-farnesyl diphosphate
2-cis,6-trans-farnesyl diphosphate trianion
2-cis,6-trans-farnesyl diphosphate(3-)
Phosphoric acid di-((2Z,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl) ester

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

12225173 [DBID]
  • Miscellaneous

    • Chemical Class:

      Trianion of 2-cis,6-trans-farnesyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. ChEBI CHEBI:162247

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 533.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 276.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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