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Search term: CCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Beta-D-Glucopyranosylsulfonylethane | C8H16O7S

β-D-Glucopyranosylsulfonylethane

  • Molecular FormulaC8H16O7S
  • Average mass256.273 Da
  • Monoisotopic mass256.061676 Da
  • ChemSpider ID25056609

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(ethylsulfonyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(ethylsulfonyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(éthylsulfonyl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(ethylsulfonyl)-, (1S)- [ACD/Index Name]
β-D-Glucopyranosylsulfonylethane
BGS

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

Density: 1.6±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 53.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.23
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 133 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 161.8±5.0 cm3

Click to predict properties on the Chemicalize site


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