ChemSpider 2D Image | 6-O-Butyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside | C16H28O12

6-O-Butyryl-α-D-glucopyranosyl α-D-glucopyranoside

  • Molecular FormulaC16H28O12
  • Average mass412.386 Da
  • Monoisotopic mass412.158081 Da
  • ChemSpider ID59051882

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-O-Butyryl-α-D-glucopyranosyl α-D-glucopyranoside [ACD/IUPAC Name]
6-O-Butyryl-α-D-glucopyranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de 6-O-butyryl-α-D-glucopyranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 6-O-(1-oxobutyl)-α-D-glucopyranosyl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 235.4±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.69
Polar Surface Area: 196 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 263.9±5.0 cm3

Click to predict properties on the Chemicalize site


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