ChemSpider 2D Image | (4xi)-2,5-Anhydro-D-xylo-hexitol | C6H12O5

(4ξ)-2,5-Anhydro-D-xylo-hexitol

  • Molecular FormulaC6H12O5
  • Average mass164.156 Da
  • Monoisotopic mass164.068466 Da
  • ChemSpider ID61692943

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4ξ)-2,5-Anhydro-D-xylo-hexitol [German] [ACD/IUPAC Name]
(4ξ)-2,5-Anhydro-D-xylo-hexitol [ACD/IUPAC Name]
(4ξ)-2,5-Anhydro-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 2,5-anhydro-, (4ξ)- [ACD/Index Name]
2089604-48-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 416.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 205.5±25.9 °C
Index of Refraction: 1.557
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.64
Polar Surface Area: 90 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 110.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement