ChemSpider 2D Image | (2S)-2-Hydroxypropyl (12R)-12-hydroxyoctadecanoate | C21H42O4

(2S)-2-Hydroxypropyl (12R)-12-hydroxyoctadecanoate

  • Molecular FormulaC21H42O4
  • Average mass358.556 Da
  • Monoisotopic mass358.308319 Da
  • ChemSpider ID34990645

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(12R)-12-Hydroxyoctadécanoate de (2S)-2-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-Hydroxypropyl (12R)-12-hydroxyoctadecanoate [ACD/IUPAC Name]
(2S)-2-Hydroxypropyl-(12R)-12-hydroxyoctadecanoat [German] [ACD/IUPAC Name]
Octadecanoic acid, 12-hydroxy-, (2S)-2-hydroxypropyl ester, (12R)- [ACD/Index Name]
254-045-8 [EINECS]
2-Hydroxypropyl 12-hydroxyoctadecanoate [ACD/IUPAC Name]
38621-51-1 [RN]
5417-29-8 [RN]
Propylene glycol hydroxystearate
UNII-G0ZI1T6T6W
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 481.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 153.9±13.9 °C
Index of Refraction: 1.468
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14235.13
ACD/KOC (pH 5.5): 32701.19
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14235.13
ACD/KOC (pH 7.4): 32701.19
Polar Surface Area: 67 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

Click to predict properties on the Chemicalize site


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