ChemSpider 2D Image | Diphosphoric acid, mono[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1- yl] ester, ion(3-) | C70H113O7P2

Diphosphoric acid, mono[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1- yl] ester, ion(3-)

  • Molecular FormulaC70H113O7P2
  • Average mass1128.591 Da
  • Monoisotopic mass1127.797852 Da
  • ChemSpider ID26331905

  • 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,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1- yl] ester, ion(3-) [ACD/Index Name]
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54-tetradecaen-1-yl diphosphate
ditrans,polycis-tetradecaprenyl diphosphate
di-trans,poly-cis-tetradecaprenyl diphosphate trianion
di-trans,poly-cis-tetradecaprenyl diphosphate(3-)
ditrans,undecacis-tetradecaprenyl diphosphate
di-trans,undeca-cis-tetradecaprenyl diphosphate
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the trianion of ditrans,polycis-tetradecaprenyl diphosphate arising from deprotonation of the diphosphat; e OH groups; major species at pH 7.3. ChEBI CHEBI:60387
      An organophosphate oxoanion that is the trianion of ditrans,polycis-tetradecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. ChEBI CHEBI:60387

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

Density:
Boiling Point: 1001.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.3±6.0 kJ/mol
Flash Point: 559.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 25.52
ACD/LogD (pH 5.5): 17.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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