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Search term: IKKLDISSULFFQO-DJMILUHSSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl] ester, ion(3-) | C40H65O7P2

Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl] ester, ion(3-)

  • Molecular FormulaC40H65O7P2
  • Average mass719.889 Da
  • Monoisotopic mass719.422180 Da
  • ChemSpider ID26330884

  • 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)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl] ester, ion(3-) [ACD/Index Name]
(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl diphosphate
all-trans-octaprenyl diphosphate
all-trans-octaprenyl diphosphate dianion
all-trans-octaprenyl diphosphate(2-)
  • Miscellaneous

    • Chemical Class:

      Trianion of all-trans-octaprenyl diphosphate arising from deprotonation of all three diphosphate OH groups; major species at pH 7.3 ChEBI CHEBI:57711

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

Density:
Boiling Point: 769.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 121.9±6.0 kJ/mol
Flash Point: 419.3±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 13.31
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 1720.84
ACD/KOC (pH 5.5): 370.03
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 346.04
ACD/KOC (pH 7.4): 74.41
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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