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ChemSpider 2D Image | (2R)-3-[(Hydroxy{[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate | C41H79O13P

(2R)-3-[(Hydroxy{[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate

  • Molecular FormulaC41H79O13P
  • Average mass811.032 Da
  • Monoisotopic mass810.526001 Da
  • ChemSpider ID20058759
  • defined stereocentres - 6 of 7 defined stereocentres

More details:

Date of deprecation: 12:55, Oct 22, 2013
Reason for deprecation: Deprecate record: there are no supporting data sources.

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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

(2R)-3-[(Hydroxy{[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de (2R)-3-[(hydroxy{[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-1-[[[hydroxy[[(2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Hexadecanoic acid, (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 [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 831.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 137.5±0.0 kJ/mol
Flash Point: 456.6±0.0 °C
Index of Refraction:
Molar Refractivity: 212.9±0.0 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 13.16
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 129106.77
ACD/LogD (pH 7.4): 9.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 108841.18
Polar Surface Area: 219 Å2
Polarizability: 84.4±0.0 10-24cm3
Surface Tension: 51.5±0.0 dyne/cm
Molar Volume: 707.0±0.0 cm3

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