ChemSpider 2D Image | 3-Deoxy-L-erythro-hexos-2-ulose | C6H10O5

3-Deoxy-L-erythro-hexos-2-ulose

  • Molecular FormulaC6H10O5
  • Average mass162.141 Da
  • Monoisotopic mass162.052826 Da
  • ChemSpider ID21473582

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Deoxy-L-erythro-hexos-2-ulose [ACD/IUPAC Name]
3-Désoxy-L-érythro-hexos-2-ulose [French] [ACD/IUPAC Name]
L-erythro-Hexos-2-ulose, 3-deoxy- [ACD/Index Name]
(4S,5R)-2-Oxo-4,5,6-trihydroxyhexan-1-one
3-Deoxyglucosone [Wiki]
4084-27-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 400.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 209.9±25.2 °C
Index of Refraction: 1.512
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 95 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 115.3±3.0 cm3

Click to predict properties on the Chemicalize site


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