ChemSpider 2D Image | 1,4-Anhydro-5-O-[(9E)-12-hydroxy-9-octadecenoyl]hexitol | C24H44O7

1,4-Anhydro-5-O-[(9E)-12-hydroxy-9-octadecenoyl]hexitol

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID57516208

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Anhydro-5-O-[(9E)-12-hydroxy-9-octadecenoyl]hexitol [German] [ACD/IUPAC Name]
1,4-Anhydro-5-O-[(9E)-12-hydroxy-9-octadecenoyl]hexitol [ACD/IUPAC Name]
1,4-Anhydro-5-O-[(9E)-12-hydroxy-9-octadecenoyl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,4-anhydro-5-O-[(9E)-12-hydroxy-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
1-(3,4-DIHYDROXYOXOLAN-2-YL)-2-HYDROXYETHYL 12-HYDROXYOCTADEC-9-ENOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 198.7±25.0 °C
Index of Refraction: 1.517
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1155.89
ACD/KOC (pH 5.5): 5420.46
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1155.89
ACD/KOC (pH 7.4): 5420.45
Polar Surface Area: 116 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement