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Search term: NTXGVHCCXVHYCL-RDQGWRCRSA-K (Found by InChIKey (full match))

ChemSpider 2D Image | Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl] ester, ion(3-) | C55H89O7P2

Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl] ester, ion(3-)

  • Molecular FormulaC55H89O7P2
  • Average mass924.240 Da
  • Monoisotopic mass923.609985 Da
  • ChemSpider ID26330998
  • 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,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl] ester, ion(3-) [ACD/Index Name]
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl diphosphate
all-trans-undecaprenyl diphosphate
all-trans-undecaprenyl diphosphate trianion
all-trans-undecaprenyl diphosphate(3-)
  • Miscellaneous
    • Chemical Class:

      Trianion of all-trans-undecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57995

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 891.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.6±6.0 kJ/mol
Flash Point: 492.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 19.41
ACD/LogD (pH 5.5): 11.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 546620.81
ACD/LogD (pH 7.4): 11.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 109918.90
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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