ChemSpider 2D Image | 4-O-(6-Thio-beta-D-glucopyranosyl)-beta-D-glucopyranose | C12H22O10S

4-O-(6-Thio-β-D-glucopyranosyl)-β-D-glucopyranose

  • Molecular FormulaC12H22O10S
  • Average mass358.362 Da
  • Monoisotopic mass358.093353 Da
  • ChemSpider ID57422583
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(mercaptomethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
4-O-(6-Thio-β-D-glucopyranosyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(6-Thio-β-D-glucopyranosyl)-β-D-glucopyranose [ACD/IUPAC Name]
4-O-(6-Thio-β-D-glucopyranosyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
80951-92-4 [RN]
β-D-Glucopyranose, 4-O-(6-thio-β-D-glucopyranosyl)- [ACD/Index Name]
MFCD00270082 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 661.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 354.1±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 208 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 99.3±5.0 dyne/cm
Molar Volume: 210.4±5.0 cm3

Click to predict properties on the Chemicalize site






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