ChemSpider 2D Image | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE | C9H14N2O6

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

  • Molecular FormulaC9H14N2O6
  • Average mass246.217 Da
  • Monoisotopic mass246.085190 Da
  • ChemSpider ID26329979

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 524.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.9±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.94
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.94
Polar Surface Area: 129 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 156.7±3.0 cm3

Click to predict properties on the Chemicalize site


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