ChemSpider 2D Image | 3-Hydroperoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol | C6H12O7

3-Hydroperoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol

  • Molecular FormulaC6H12O7
  • Average mass196.155 Da
  • Monoisotopic mass196.058304 Da
  • ChemSpider ID21428167

More details:






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

3-Hydroperoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol [ACD/IUPAC Name]
3-Hydroperoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol [German] [ACD/IUPAC Name]
3-Hydroperoxy-6-(hydroxyméthyl)tétrahydro-2H-pyrane-2,4,5-triol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 38.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.99
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.99
Polar Surface Area: 120 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 98.5±5.0 dyne/cm
Molar Volume: 113.1±5.0 cm3

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