ChemSpider 2D Image | (2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl 20-methylhenicosanoate | C35H69O8P

(2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl 20-methylhenicosanoate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID74877359
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl 20-methylhenicosanoate [ACD/IUPAC Name]
(2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl-20-methylhenicosanoat [German] [ACD/IUPAC Name]
20-Méthylhénicosanoate de (2R)-1-(decanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Heneicosanoic acid, 20-methyl-, (1R)-2-[(1-oxodecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
(2R)-3-(decanoyloxy)-2-[(20-methylhenicosanoyl)oxy]propoxyphosphonic acid
[(2R)-3-(decanoyloxy)-2-[(20-methylhenicosanoyl)oxy]propoxy]phosphonic acid
PA(10:0/i-22:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 703.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 379.4±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 13.49
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 128515.60
ACD/KOC (pH 5.5): 17437.65
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 15120.99
ACD/KOC (pH 7.4): 2051.69
Polar Surface Area: 129 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 639.5±3.0 cm3

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