ChemSpider 2D Image | (2R)-2-[(12-Methyltridecanoyl)oxy]-3-(phosphonooxy)propyl 19-methylicosanoate | C38H75O8P

(2R)-2-[(12-Methyltridecanoyl)oxy]-3-(phosphonooxy)propyl 19-methylicosanoate

  • Molecular FormulaC38H75O8P
  • Average mass690.971 Da
  • Monoisotopic mass690.519958 Da
  • ChemSpider ID74877618

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(12-Methyltridecanoyl)oxy]-3-(phosphonooxy)propyl 19-methylicosanoate [ACD/IUPAC Name]
(2R)-2-[(12-Methyltridecanoyl)oxy]-3-(phosphonooxy)propyl-19-methylicosanoat [German] [ACD/IUPAC Name]
19-Méthylicosanoate de (2R)-2-[(12-méthyltridecanoyl)oxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 19-methyl-, (2R)-2-[(12-methyl-1-oxotridecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
(2R)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propoxyphosphonic acid
[(2R)-3-[(19-methylicosanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propoxy]phosphonic acid
PA(i-21:0/i-14:0)

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: 728.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 394.6±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 193.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 14.90
ACD/LogD (pH 5.5): 8.79
ACD/BCF (pH 5.5): 439528.22
ACD/KOC (pH 5.5): 42047.27
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 51714.75
ACD/KOC (pH 7.4): 4947.27
Polar Surface Area: 129 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 689.4±3.0 cm3

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