ChemSpider 2D Image | Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl] ester, ion(3-) | C50H81O7P2

Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl] ester, ion(3-)

  • Molecular FormulaC50H81O7P2
  • Average mass856.123 Da
  • Monoisotopic mass855.547424 Da
  • ChemSpider ID26332001

  • 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,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl] ester, ion(3-) [ACD/Index Name]
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl diphosphate
all-trans-decaprenyl diphosphate
all-trans-decaprenyl diphosphate
all-trans-decaprenyl diphosphate(3-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion which is obtained from all-trans-decaprenyl diphosphate by removal of the three protons from the diphosphate group. The major species at pH 7.3. ChEBI CHEBI:60721

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

Density:
Boiling Point: 852.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.4±6.0 kJ/mol
Flash Point: 469.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 17.38
ACD/LogD (pH 5.5): 9.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 47255.75
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 303135.97
ACD/KOC (pH 7.4): 9502.57
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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