ChemSpider 2D Image | 2-STEARO-1,3-DIOLEIN | C57H106O6

2-STEARO-1,3-DIOLEIN

  • Molecular FormulaC57H106O6
  • Average mass887.448 Da
  • Monoisotopic mass886.798950 Da
  • ChemSpider ID4944479

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,9'Z)Bis(-9-octadécénoate) de 2-(stearoyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
1,3-Dioleoyl-2-Stearoyl Glycerol
2-(Stearoyloxy)-1,3-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
2-(Stearoyloxy)-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
2-(Stearoyloxy)propane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate
2410-29-9 [RN]
2-STEARO-1,3-DIOLEIN
9-Octadecenoic acid, 2-[(1-oxooctadecyl)oxy]-1,3-propanediyl ester, (9Z,9'Z)- [ACD/Index Name]
Triglyceride OStO,sn
1-(9Z-Octadecenoyl)-2-octadecanoyl-3-(9Z-octadecenoyl)-glycerol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FL38VM758C [DBID]
UNII:FL38VM758C [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 819.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 302.6±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.23
ACD/LogD (pH 5.5): 22.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 967.5±3.0 cm3

Click to predict properties on the Chemicalize site


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