ChemSpider 2D Image | 1-O-[(9Z,12Z)-9,12-Octadecadienoyl]-D-arabinitol | C23H42O6

1-O-[(9Z,12Z)-9,12-Octadecadienoyl]-D-arabinitol

  • Molecular FormulaC23H42O6
  • Average mass414.576 Da
  • Monoisotopic mass414.298126 Da
  • ChemSpider ID78437793

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-O-[(9Z,12Z)-9,12-Octadecadienoyl]-D-arabinitol [German] [ACD/IUPAC Name]
1-O-[(9Z,12Z)-9,12-Octadecadienoyl]-D-arabinitol [ACD/IUPAC Name]
1-O-[(9Z,12Z)-9,12-Octadecadienoyl]-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 1-O-[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 186.9±23.6 °C
Index of Refraction: 1.509
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2187.76
ACD/KOC (pH 5.5): 8557.92
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2187.75
ACD/KOC (pH 7.4): 8557.88
Polar Surface Area: 107 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 390.1±3.0 cm3

Click to predict properties on the Chemicalize site


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