ChemSpider 2D Image | methyl (S)-3-hydroxypalmitate | C17H34O3

methyl (S)-3-hydroxypalmitate

  • Molecular FormulaC17H34O3
  • Average mass286.450 Da
  • Monoisotopic mass286.250793 Da
  • ChemSpider ID21865351

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxyhexadécanoate de méthyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 3-hydroxy-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-3-hydroxyhexadecanoate [ACD/IUPAC Name]
methyl (S)-3-hydroxypalmitate
Methyl-(3S)-3-hydroxyhexadecanoat [German] [ACD/IUPAC Name]
2049352 [Beilstein]
76898-45-8 [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: 388.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 147.4±13.2 °C
Index of Refraction: 1.454
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30685.33
ACD/KOC (pH 5.5): 56666.88
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30685.33
ACD/KOC (pH 7.4): 56666.88
Polar Surface Area: 47 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

Click to predict properties on the Chemicalize site


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