ChemSpider 2D Image | 1,2,3-Propanetriyl (12R,12'R,12''R)tris(12-hydroxyoctadecanoate) | C57H110O9

1,2,3-Propanetriyl (12R,12'R,12''R)tris(12-hydroxyoctadecanoate)

  • Molecular FormulaC57H110O9
  • Average mass939.478 Da
  • Monoisotopic mass938.815002 Da
  • ChemSpider ID34983598

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(12R,12'R,12''R)Tris(12-hydroxyoctadécanoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl (12R,12'R,12''R)tris(12-hydroxyoctadecanoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-(12R,12'R,12''R)tris(12-hydroxyoctadecanoat) [German] [ACD/IUPAC Name]
Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (12R,12'R,12''R)- [ACD/Index Name]
139-44-6 [RN]
205-364-6 [EINECS]
TRIHYDROXYSTEARIN
UNII-06YD7896S3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 872.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 220.1±18.1 °C
Index of Refraction: 1.478
Molar Refractivity: 275.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 18.70
ACD/LogD (pH 5.5): 17.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 140 Å2
Polarizability: 109.4±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


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