ChemSpider 2D Image | (3R,4S,5R,6R)-3,4,5,6,7-Pentahydroxy-2-(1-~2~H_1_)heptanone | C7H13DO6

(3R,4S,5R,6R)-3,4,5,6,7-Pentahydroxy-2-(1-2H1)heptanone

  • Molecular FormulaC7H13DO6
  • Average mass195.189 Da
  • Monoisotopic mass195.085312 Da
  • ChemSpider ID67159400

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4S,5R,6R)-3,4,5,6,7-Pentahydroxy-2-(1-2H1)heptanon [German] [ACD/IUPAC Name]
(3R,4S,5R,6R)-3,4,5,6,7-Pentahydroxy-2-(1-2H1)heptanone [ACD/IUPAC Name]
(3R,4S,5R,6R)-3,4,5,6,7-Pentahydroxy-2-(1-2H1)heptanone [French] [ACD/IUPAC Name]
D-gluco-2-Heptulose-1-d, 1-deoxy- [ACD/Index Name]
methyl-d-glucose

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

Density: 1.5±0.1 g/cm3
Boiling Point: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 292.6±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.34
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 130.2±3.0 cm3

Click to predict properties on the Chemicalize site


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