Found 29 results

Search term: MF = 'C_{36}H_{71}O_{8}P'
ChemSpider 2D Image | (2R)-2-[(11-Methyldodecanoyl)oxy]-3-(phosphonooxy)propyl icosanoate | C36H71O8P

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

  • Molecular FormulaC36H71O8P
  • Average mass662.918 Da
  • Monoisotopic mass662.488647 Da
  • ChemSpider ID74877373

  • 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 icosanoate [ACD/IUPAC Name]
(2R)-2-[(11-Methyldodecanoyl)oxy]-3-(phosphonooxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-2-[(11-methyl-1-oxododecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Icosanoate de (2R)-2-[(11-méthyldodecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(icosanoyloxy)-2-[(11-methyldodecanoyl)oxy]propoxyphosphonic acid
[(2R)-3-(icosanoyloxy)-2-[(11-methyldodecanoyl)oxy]propoxy]phosphonic acid
PA(20:0/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: 713.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 385.1±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 184.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 14.02
ACD/LogD (pH 5.5): 8.49
ACD/BCF (pH 5.5): 257763.83
ACD/KOC (pH 5.5): 28697.39
ACD/LogD (pH 7.4): 7.56
ACD/BCF (pH 7.4): 30328.41
ACD/KOC (pH 7.4): 3376.53
Polar Surface Area: 129 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 656.0±3.0 cm3

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