ChemSpider 2D Image | 3,6-Anhydro-1-O-dodecanoyl-D-xylo-hexitol | C18H34O6

3,6-Anhydro-1-O-dodecanoyl-D-xylo-hexitol

  • Molecular FormulaC18H34O6
  • Average mass346.459 Da
  • Monoisotopic mass346.235535 Da
  • ChemSpider ID27473001
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3,6-Anhydro-1-O-dodecanoyl-D-xylo-hexitol [German] [ACD/IUPAC Name]
3,6-Anhydro-1-O-dodecanoyl-D-xylo-hexitol [ACD/IUPAC Name]
3,6-Anhydro-1-O-dodecanoyl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Hexitol, 3,6-anhydro-1-O-(1-oxododecyl)- [ACD/Index Name]
sorbitan monolaurate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 516.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 176.9±22.2 °C
Index of Refraction: 1.504
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 663.88
ACD/KOC (pH 5.5): 3644.64
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 663.88
ACD/KOC (pH 7.4): 3644.63
Polar Surface Area: 96 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

Click to predict properties on the Chemicalize site






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