ChemSpider 2D Image | N-{(3R)-15-Methyl-3-[(12-methyltridecanoyl)oxy]hexadecanoyl}glycine | C33H63NO5

N-{(3R)-15-Methyl-3-[(12-methyltridecanoyl)oxy]hexadecanoyl}glycine

  • Molecular FormulaC33H63NO5
  • Average mass553.857 Da
  • Monoisotopic mass553.470642 Da
  • ChemSpider ID68003709

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{(3R)-15-Methyl-3-[(12-methyltridecanoyl)oxy]hexadecanoyl}glycin [German] [ACD/IUPAC Name]
N-{(3R)-15-Methyl-3-[(12-methyltridecanoyl)oxy]hexadecanoyl}glycine [ACD/IUPAC Name]
N-{(3R)-15-Méthyl-3-[(12-méthyltridecanoyl)oxy]hexadecanoyl}glycine [French] [ACD/IUPAC Name]
R-(+)-N-[15-methyl-3-(12-methyltridecanoyloxy)-hexadecanoyl]glycine
Tridecanoic acid, 12-methyl-, (1R)-1-[2-[(carboxymethyl)amino]-2-oxoethyl]-13-methyltetradecyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 670.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 359.0±27.3 °C
Index of Refraction: 1.471
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 12.12
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 128658.91
ACD/KOC (pH 5.5): 34776.01
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 6281.10
ACD/KOC (pH 7.4): 1697.76
Polar Surface Area: 93 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 578.4±3.0 cm3

Click to predict properties on the Chemicalize site


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