ChemSpider 2D Image | 1-O-Decanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside | C22H40O12

1-O-Decanoyl-β-D-fructofuranosyl α-D-glucopyranoside

  • Molecular FormulaC22H40O12
  • Average mass496.546 Da
  • Monoisotopic mass496.251984 Da
  • ChemSpider ID18502153

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-O-Decanoyl-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
1-O-Decanoyl-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de 1-O-decanoyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1-O-(1-oxodecyl)-β-D-fructofuranosyl [ACD/Index Name]
((2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2-yl)methyl decanoate
123499-66-1 [RN]
31835-06-0 [RN]
MFCD00077946 [MDL number]
Sucrose monocaprate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 707.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 235.3±26.4 °C
Index of Refraction: 1.567
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.95
ACD/KOC (pH 5.5): 124.76
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.95
ACD/KOC (pH 7.4): 124.76
Polar Surface Area: 196 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 359.9±5.0 cm3

Click to predict properties on the Chemicalize site


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