ChemSpider 2D Image | (2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl icosanoate | C35H69O8P

(2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl icosanoate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID74877372

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl icosanoate [ACD/IUPAC Name]
(2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-2-[(10-methyl-1-oxoundecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Icosanoate de (2R)-2-[(10-méthylundecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(icosanoyloxy)-2-[(10-methylundecanoyl)oxy]propoxyphosphonic acid
[(2R)-3-(icosanoyloxy)-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid
PA(20:0/i-12:0)

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

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

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): 8.12
ACD/BCF (pH 5.5): 136412.55
ACD/KOC (pH 5.5): 18197.92
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 16050.26
ACD/KOC (pH 7.4): 2141.16
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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