ChemSpider 2D Image | (2R)-2,3-Bis(palmitoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphatato | C41H78O13P

(2R)-2,3-Bis(palmitoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphatato

  • Molecular FormulaC41H78O13P
  • Average mass810.024 Da
  • Monoisotopic mass809.518555 Da
  • ChemSpider ID28639134

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2,3-Bis(palmitoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphatato [ACD/IUPAC Name]
(2R)-2,3-Bis(palmitoyloxy)propyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
Hexadecanoato, (1R)-2-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, ion(1-) [ACD/Index Name]
Phosphate de (2R)-2,3-bis(palmitoyloxy)propyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
(2R)-2,3-bis(hexadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol)
1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol
1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-)
1,2-dipalmitoyl-sn-glycero-3-phospho-D-myo-inositol(1-)
dipalmitoyl-L-1-phosphatidyl-inositol
More...
  • Miscellaneous

    • Chemical Class:

      A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1,2-dihexadecanoyl-s; n-glycero-3-phospho-D-myo-inositol. ChEBI CHEBI:72835
      A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol. ChEBI CHEBI:72835

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

Density:
Boiling Point: 831.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.5±6.0 kJ/mol
Flash Point: 456.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 13.16
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 52601.17
ACD/KOC (pH 5.5): 8799.33
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 45437.95
ACD/KOC (pH 7.4): 7601.04
Polar Surface Area: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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