ChemSpider 2D Image | Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl] ester, ion(3-) | C35H57O7P2

Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl] ester, ion(3-)

  • Molecular FormulaC35H57O7P2
  • Average mass651.772 Da
  • Monoisotopic mass651.359619 Da
  • ChemSpider ID26331073

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl] ester, ion(3-) [ACD/Index Name]
(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl diphosphate
all-trans-heptaprenyl diphosphate
all-trans-heptaprenyl diphosphate trianion
all-trans-heptaprenyl diphosphate(3-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of all-trans-heptaprenyl diphosphate; major species at pH 7.3. ChEBI CHEBI:58206

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

Density:
Boiling Point: 726.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 392.9±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 67.20
ACD/KOC (pH 5.5): 36.32
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 13.51
ACD/KOC (pH 7.4): 7.30
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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