ChemSpider 2D Image | 2,3-Di-C-methyl-3-O-methyl-alpha-D-talopyranose | C9H18O6

2,3-Di-C-methyl-3-O-methyl-α-D-talopyranose

  • Molecular FormulaC9H18O6
  • Average mass222.236 Da
  • Monoisotopic mass222.110336 Da
  • ChemSpider ID29782037

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3-Di-C-methyl-3-O-methyl-α-D-talopyranose [German] [ACD/IUPAC Name]
2,3-Di-C-methyl-3-O-methyl-α-D-talopyranose [ACD/IUPAC Name]
2,3-Di-C-méthyl-3-O-méthyl-α-D-talopyranose [French] [ACD/IUPAC Name]
α-D-Talopyranose, 2,3-di-C-methyl-3-O-methyl- [ACD/Index Name]
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-4-methoxy-3,4-dimethyltetrahydro-2H-pyran-2,3,5-triol
492462-53-0 [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: 383.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 186.0±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.67
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.67
Polar Surface Area: 99 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 164.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement