ChemSpider 2D Image | (2S)-3-{[(2R)-2-Hydroxynonadecyl]oxy}-1,2-propanediol | C22H46O4

(2S)-3-{[(2R)-2-Hydroxynonadecyl]oxy}-1,2-propanediol

  • Molecular FormulaC22H46O4
  • Average mass374.598 Da
  • Monoisotopic mass374.339600 Da
  • ChemSpider ID113371321

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-{[(2R)-2-Hydroxynonadecyl]oxy}-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-{[(2R)-2-Hydroxynonadecyl]oxy}-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-{[(2R)-2-Hydroxynonadécyl]oxy}-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[[(2R)-2-hydroxynonadecyl]oxy]-, (2S)- [ACD/Index Name]
1-O-(2R-hydroxy-nonadecyl)-sn-glycerol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 517.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 266.6±25.9 °C
Index of Refraction: 1.475
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49293.81
ACD/KOC (pH 5.5): 79557.83
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49293.76
ACD/KOC (pH 7.4): 79557.74
Polar Surface Area: 70 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 391.3±3.0 cm3

Click to predict properties on the Chemicalize site


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