ChemSpider 2D Image | beta-D-Fructofuranosyl 4-O-isobutyryl-alpha-D-glucopyranoside | C16H28O12

β-D-Fructofuranosyl 4-O-isobutyryl-α-D-glucopyranoside

  • Molecular FormulaC16H28O12
  • Average mass412.386 Da
  • Monoisotopic mass412.158081 Da
  • ChemSpider ID58837899

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-O-Isobutyryl-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, β-D-fructofuranosyl, 4-(2-methylpropanoate) [ACD/Index Name]
β-D-Fructofuranosyl 4-O-isobutyryl-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-4-O-isobutyryl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4-(isobutanoyl)sucrose
sucrose mono-4-isobutanoate
sucrose-4-isobutanoate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 665.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 236.8±25.0 °C
Index of Refraction: 1.596
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: 0.55
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.25
Polar Surface Area: 196 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 263.7±5.0 cm3

Click to predict properties on the Chemicalize site


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