ChemSpider 2D Image | (2R)-2-[(11-Methyldodecanoyl)oxy]-3-(phosphonooxy)propyl docosanoate | C38H75O8P

(2R)-2-[(11-Methyldodecanoyl)oxy]-3-(phosphonooxy)propyl docosanoate

  • Molecular FormulaC38H75O8P
  • Average mass690.971 Da
  • Monoisotopic mass690.519958 Da
  • ChemSpider ID74877407

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(11-Methyldodecanoyl)oxy]-3-(phosphonooxy)propyl docosanoate [ACD/IUPAC Name]
(2R)-2-[(11-Methyldodecanoyl)oxy]-3-(phosphonooxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-2-[(11-méthyldodecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-2-[(11-methyl-1-oxododecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
(2R)-3-(docosanoyloxy)-2-[(11-methyldodecanoyl)oxy]propoxyphosphonic acid
[(2R)-3-(docosanoyloxy)-2-[(11-methyldodecanoyl)oxy]propoxy]phosphonic acid
PA(22:0/i-13:0)

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: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.08
ACD/LogD (pH 5.5): 9.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 81328.10
ACD/LogD (pH 7.4): 8.39
ACD/BCF (pH 7.4): 129979.95
ACD/KOC (pH 7.4): 9569.04
Polar Surface Area: 129 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 689.0±3.0 cm3

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