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Search term: XSAGLJZRFLLDJW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-O-(2-Methyl-3-oxobutanoyl)-beta-D-glucopyranose | C11H18O8

1-O-(2-Methyl-3-oxobutanoyl)-β-D-glucopyranose

  • Molecular FormulaC11H18O8
  • Average mass278.256 Da
  • Monoisotopic mass278.100159 Da
  • ChemSpider ID107563337

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-O-(2-Methyl-3-oxobutanoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-(2-Methyl-3-oxobutanoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-(2-Méthyl-3-oxobutanoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-(2-methyl-1,3-dioxobutyl)- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-methyl-3-oxobutanoate
55018-21-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 458.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 174.4±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 60.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.20
Polar Surface Area: 134 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 192.0±5.0 cm3

Click to predict properties on the Chemicalize site


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