ChemSpider 2D Image | 4-METHYLTHIO-ALPHA-D-MANNOSE | C7H14O5S

4-METHYLTHIO-α-D-MANNOSE

  • Molecular FormulaC7H14O5S
  • Average mass210.248 Da
  • Monoisotopic mass210.056198 Da
  • ChemSpider ID26329804

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-METHYLTHIO-α-D-MANNOSE
4-S-Methyl-4-thio-β-D-gulopyranose [German] [ACD/IUPAC Name]
4-S-Methyl-4-thio-β-D-gulopyranose [ACD/IUPAC Name]
4-S-Méthyl-4-thio-β-D-gulopyranose [French] [ACD/IUPAC Name]
β-D-Gulopyranose, 4-S-methyl-4-thio- [ACD/Index Name]
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-5-(methylsulfanyl)oxane-2,3,4-triol
4-methylthio-α-D-mannose

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

Density: 1.5±0.1 g/cm3
Boiling Point: 428.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 213.2±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 48.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.09
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.09
Polar Surface Area: 115 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 139.7±5.0 cm3

Click to predict properties on the Chemicalize site


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