ChemSpider 2D Image | (2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl 18-methylnonadecanoate | C35H69O8P

(2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl 18-methylnonadecanoate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID74877586
  • 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 18-methylnonadecanoate [ACD/IUPAC Name]
(2R)-2-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)propyl-18-methylnonadecanoat [German] [ACD/IUPAC Name]
18-Méthylnonadécanoate de (2R)-2-[(10-méthylundecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Nonadecanoic acid, 18-methyl-, (2R)-2-[(10-methyl-1-oxoundecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
(2R)-3-[(18-methylnonadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxyphosphonic acid
[(2R)-3-[(18-methylnonadecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid
PA(i-20:0/i-12:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 700.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 377.6±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 179.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.30
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 58970.87
ACD/KOC (pH 5.5): 9984.33
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 6938.49
ACD/KOC (pH 7.4): 1174.75
Polar Surface Area: 129 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 639.9±3.0 cm3

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