ChemSpider 2D Image | [(2R)-2-hexadecanoyloxy-3-[[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexoxy]-phenoxy-phosphoryl]oxy-propyl] hexadecanoate | C47H83O13P

[(2R)-2-hexadecanoyloxy-3-[[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexoxy]-phenoxy-phosphoryl]oxy-propyl] hexadecanoate

  • Molecular FormulaC47H83O13P
  • Average mass887.128 Da
  • Monoisotopic mass886.557129 Da
  • ChemSpider ID8616162

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(2R)-3-{[{[(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl]oxy}(phenoxy)phosphoryl]oxy}-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
Dihexadécanoate de (2R)-3-{[{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}(phénoxy)phosphoryl]oxy}-1,2-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 857.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.5±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 237.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 15.37
ACD/LogD (pH 5.5): 13.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 208 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 773.3±5.0 cm3

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