ChemSpider 2D Image | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-BENZOTHIAZOLE | C14H17NO5S

2-(β-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-BENZOTHIAZOLE

  • Molecular FormulaC14H17NO5S
  • Average mass311.353 Da
  • Monoisotopic mass311.082733 Da
  • ChemSpider ID20059592

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-(5-méthyl-1,3-benzothiazol-2-yl)-D-glucitol [French] [ACD/IUPAC Name]
2-(β-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-BENZOTHIAZOLE
D-Glucitol, 1,5-anhydro-1-C-(5-methyl-2-benzothiazolyl)-, (1R)- [ACD/Index Name]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methyl-1,3-benzothiazol-2-yl)oxane-3,4,5-triol
2-(β-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE
2-(β-D-glucosyl)benzothiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.703
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 38.85
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 38.85
Polar Surface Area: 131 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

Click to predict properties on the Chemicalize site


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