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Search term: OC[C@@H]1C[C@H](O)[C@@H](O)CO1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1,5-Anhydro-4-deoxy-D-xylo-hexitol | C6H12O4

1,5-Anhydro-4-deoxy-D-xylo-hexitol

  • Molecular FormulaC6H12O4
  • Average mass148.157 Da
  • Monoisotopic mass148.073563 Da
  • ChemSpider ID26326933

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,5-Anhydro-4-deoxy-D-xylo-hexitol [ACD/IUPAC Name]
1,5-Anhydro-4-desoxy-D-xylo-hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-4-désoxy-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Hexitol, 1,5-anhydro-4-deoxy- [ACD/Index Name]
glc
α-D-Glucose

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

Density: 1.3±0.1 g/cm3
Boiling Point: 332.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.6±6.0 kJ/mol
Flash Point: 154.7±26.5 °C
Index of Refraction: 1.532
Molar Refractivity: 34.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.56
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.56
Polar Surface Area: 70 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 110.0±3.0 cm3

Click to predict properties on the Chemicalize site


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