ChemSpider 2D Image | (2R)-2-Hydroxy-3-(palmitoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphatato | C25H48O12P

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

  • Molecular FormulaC25H48O12P
  • Average mass571.616 Da
  • Monoisotopic mass571.288879 Da
  • ChemSpider ID28639132

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-(palmitoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphatato [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-(palmitoyloxy)propyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
Hexadecanoato, (2R)-2-hydroxy-3-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]propyl ester, ion(1-) [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-(palmitoyloxy)propyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
(2R)-3-(palmitoyloxy)-2-hydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
1-hexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol)
1-hexadecanoyl-sn--glycero-3-phospho-D-myo-inositol(1-)
1-hexadecanyol-sn-glycero-3-phospho-D-myo-inositol
1-palmitoyl-GPI
1-palmitoyl-GPI (16:0)
More...
  • Miscellaneous

    • Chemical Class:

      A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the acyl group is specified as hexadecanoyl (palmitoyl); major species at pH 7.3. ChEBI CHEBI:72833

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

Density:
Boiling Point: 714.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 385.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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