ChemSpider 2D Image | (3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,2,3,4,5-pentol | C6H12O7

(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,2,3,4,5-pentol

  • Molecular FormulaC6H12O7
  • Average mass196.155 Da
  • Monoisotopic mass196.058304 Da
  • ChemSpider ID29369693

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,2,3,4,5-pentol [ACD/IUPAC Name]
(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,2,3,4,5-pentol [German] [ACD/IUPAC Name]
(3R,4S,5S,6R)-6-(Hydroxyméthyl)tétrahydro-2H-pyrane-2,2,3,4,5-pentol [French] [ACD/IUPAC Name]
BGC
glc
oxyglucose
β-d-gluconic acid
β-D-glucose

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

Density: 2.0±0.1 g/cm3
Boiling Point: 434.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 216.5±28.7 °C
Index of Refraction: 1.708
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 112.6±3.0 dyne/cm
Molar Volume: 99.4±3.0 cm3

Click to predict properties on the Chemicalize site


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