ChemSpider 2D Image | 1,2,3-Propanetriol tri(12-hydroxy-9-octadecenoate) | C57H104O9

1,2,3-Propanetriol tri(12-hydroxy-9-octadecenoate)

  • Molecular FormulaC57H104O9
  • Average mass933.430 Da
  • Monoisotopic mass932.768005 Da
  • ChemSpider ID4479721

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,9'E,9''E)Tris(12-hydroxy-9-octadécénoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriol tri(12-hydroxy-9-octadecenoate)
1,2,3-Propanetriyl (9E,9'E,9''E)tris(12-hydroxy-9-octadecenoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-(9E,9'E,9''E)tris(12-hydroxy-9-octadecenoat) [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (9E,9'E,9''E)- [ACD/Index Name]
12-Hydroxy-9-octadecenoic acid, 1,2,3-propanetriyl ester
15505-14-3 [RN]
2593-53-5 [RN]
9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-, 1,2,3-propanetriyl ester
9-Octadecenoic acid, 12-hydroxy-, 1,2, 3-propanetriyl ester, stereoisomer
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC93749 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 879.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 224.1±27.8 °C
Index of Refraction: 1.490
Molar Refractivity: 276.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 17.72
ACD/LogD (pH 5.5): 16.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.39
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: 38.3±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site


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