ChemSpider 2D Image | (3S,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-one (non-preferred name) | C7H12O6

(3S,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC7H12O6
  • Average mass192.167 Da
  • Monoisotopic mass192.063385 Da
  • ChemSpider ID61445537

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxyméthyl)-5-méthoxytétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC Name]
7404-25-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 378.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 157.3±19.4 °C
Index of Refraction: 1.532
Molar Refractivity: 40.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.48
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 96 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 130.9±5.0 cm3

Click to predict properties on the Chemicalize site


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