ChemSpider 2D Image | (2S)-1-(Hexadecyloxy)-3-hydroxy-2-propanyl stearate | C37H74O4

(2S)-1-(Hexadecyloxy)-3-hydroxy-2-propanyl stearate

  • Molecular FormulaC37H74O4
  • Average mass582.981 Da
  • Monoisotopic mass582.558716 Da
  • ChemSpider ID18558308

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(Hexadecyloxy)-3-hydroxy-2-propanyl stearate [ACD/IUPAC Name]
(2S)-1-(Hexadecyloxy)-3-hydroxy-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1S)-2-(hexadecyloxy)-1-(hydroxymethyl)ethyl ester [ACD/Index Name]
Stéarate de (2S)-1-(hexadécyloxy)-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-(hexadecyloxy)-3-hydroxypropan-2-yl octadecanoate
2-Octadecanoyl-1-hexadecyl-sn-glycerol
DG(16:0e/18:0/0:0)
DG(O-16:0/18:0/0:0)

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: 0.9±0.1 g/cm3
Boiling Point: 643.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 179.2±19.4 °C
Index of Refraction: 1.464
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 16.03
ACD/LogD (pH 5.5): 14.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 647.0±3.0 cm3

Click to predict properties on the Chemicalize site


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