ChemSpider 2D Image | (4xi)-1,4-Anhydro-6-O-palmitoyl-D-xylo-hexitol | C22H42O6

(4ξ)-1,4-Anhydro-6-O-palmitoyl-D-xylo-hexitol

  • Molecular FormulaC22H42O6
  • Average mass402.565 Da
  • Monoisotopic mass402.298126 Da
  • ChemSpider ID30791831

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4ξ)-1,4-Anhydro-6-O-palmitoyl-D-xylo-hexitol [German] [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-6-O-palmitoyl-D-xylo-hexitol [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-6-O-palmitoyl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,4-anhydro-6-O-(1-oxohexadecyl)-, (4ξ)- [ACD/Index Name]
Sorbitan monopalmitate
Sorbitan palmitate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 182.4±22.2 °C
Index of Refraction: 1.499
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 23110.64
ACD/KOC (pH 5.5): 46259.63
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 23110.56
ACD/KOC (pH 7.4): 46259.48
Polar Surface Area: 96 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

Click to predict properties on the Chemicalize site


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