ChemSpider 2D Image | alpha-D-Glucopyranosyl 3-O-isobutyryl-alpha-D-glucopyranoside | C16H28O12

α-D-Glucopyranosyl 3-O-isobutyryl-α-D-glucopyranoside

  • Molecular FormulaC16H28O12
  • Average mass412.386 Da
  • Monoisotopic mass412.158081 Da
  • ChemSpider ID29814826

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-O-Isobutyryl-α-D-glucopyranoside de α-D-glucopyranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, α-D-glucopyranosyl, 3-(2-methylpropanoate) [ACD/Index Name]
α-D-Glucopyranosyl 3-O-isobutyryl-α-D-glucopyranoside [ACD/IUPAC Name]
α-D-Glucopyranosyl-3-O-isobutyryl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] 2-methylpropanoate
Compound NP-019242
NCGC00380162-01C16H28O12α-D-Glucopyranoside, α-D-glucopyranosyl, 3-(2-methylpropanoate)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 663.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 236.1±25.0 °C
Index of Refraction: 1.593
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 264.6±5.0 cm3

Click to predict properties on the Chemicalize site


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