ChemSpider 2D Image | 6-O-Octanoyl-alpha-L-fructofuranosyl beta-L-glucopyranoside | C20H36O12

6-O-Octanoyl-α-L-fructofuranosyl β-L-glucopyranoside

  • Molecular FormulaC20H36O12
  • Average mass468.493 Da
  • Monoisotopic mass468.220673 Da
  • ChemSpider ID26329931

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

6-O-Octanoyl-α-L-fructofuranosyl β-L-glucopyranoside [ACD/IUPAC Name]
6-O-Octanoyl-α-L-fructofuranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
N-Octanoyl-B-D-Fructofuranosyl-a-D-Glucopyranoside,Sucrose Monocaproylate
β-L-Glucopyranoside de 6-O-octanoyl-α-L-fructofuranosyle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, 6-O-(1-oxooctyl)-α-L-fructofuranosyl [ACD/Index Name]
[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl octanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 236.4±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.69
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.69
Polar Surface Area: 196 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

Click to predict properties on the Chemicalize site


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