ChemSpider 2D Image | (2R)-2-(Dodecanoyloxy)-3-(phosphonooxy)propyl 18-methylnonadecanoate | C35H69O8P

(2R)-2-(Dodecanoyloxy)-3-(phosphonooxy)propyl 18-methylnonadecanoate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID74877569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(Dodecanoyloxy)-3-(phosphonooxy)propyl 18-methylnonadecanoate [ACD/IUPAC Name]
(2R)-2-(Dodecanoyloxy)-3-(phosphonooxy)propyl-18-methylnonadecanoat [German] [ACD/IUPAC Name]
18-Méthylnonadécanoate de (2R)-2-(dodecanoyloxy)-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Nonadecanoic acid, 18-methyl-, (2R)-2-[(1-oxododecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
(2R)-2-(dodecanoyloxy)-3-[(18-methylnonadecanoyl)oxy]propoxyphosphonic acid
[(2R)-2-(dodecanoyloxy)-3-[(18-methylnonadecanoyl)oxy]propoxy]phosphonic acid
PA(i-20:0/12:0)

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): 136414.19
ACD/KOC (pH 5.5): 18198.14
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 16050.42
ACD/KOC (pH 7.4): 2141.18
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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