ChemSpider 2D Image | Methyl (2S,3R)-3-hydroxy-2,16-dimethylheptadecanoate | C20H40O3

Methyl (2S,3R)-3-hydroxy-2,16-dimethylheptadecanoate

  • Molecular FormulaC20H40O3
  • Average mass328.530 Da
  • Monoisotopic mass328.297760 Da
  • ChemSpider ID57541710

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2,16-diméthylheptadécanoate de méthyle [French] [ACD/IUPAC Name]
HEPTADECANOIC ACID, 3-HYDROXY-2,16-DIMETHYL-, METHYL ESTER, (2S,3R)- [ACD/Index Name]
Methyl (2S,3R)-3-hydroxy-2,16-dimethylheptadecanoate [ACD/IUPAC Name]
Methyl-(2S,3R)-3-hydroxy-2,16-dimethylheptadecanoat [German] [ACD/IUPAC Name]
660403-57-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 423.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 156.8±14.0 °C
Index of Refraction: 1.455
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44539.86
ACD/KOC (pH 5.5): 73987.32
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44539.86
ACD/KOC (pH 7.4): 73987.32
Polar Surface Area: 47 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

Click to predict properties on the Chemicalize site


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