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ChemSpider 2D Image | 2-[(9E)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2,3,4,5,6-pentahydroxycyclohexyl phosphate | C43H80O13P

2-[(9E)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2,3,4,5,6-pentahydroxycyclohexyl phosphate

  • Molecular FormulaC43H80O13P
  • Average mass836.062 Da
  • Monoisotopic mass835.534180 Da
  • ChemSpider ID26328588

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

2-[(9E)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2,3,4,5,6-pentahydroxycyclohexyl phosphate [ACD/IUPAC Name]
2-[(9E)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl-2,3,4,5,6-pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, ion(1-), (9E)- [ACD/Index Name]
Phosphate de 2-[(9E)-9-octadecenoyloxy]-3-(palmitoyloxy)propyle et de 2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 852.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.8±6.0 kJ/mol
Flash Point: 469.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 13.70
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 76956.49
ACD/KOC (pH 5.5): 11554.03
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 66476.56
ACD/KOC (pH 7.4): 9980.61
Polar Surface Area: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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