ChemSpider 2D Image | beta-D-Fructofuranosyl 6-O-octanoyl-alpha-D-allopyranoside | C20H36O12

β-D-Fructofuranosyl 6-O-octanoyl-α-D-allopyranoside

  • Molecular FormulaC20H36O12
  • Average mass468.493 Da
  • Monoisotopic mass468.220673 Da
  • ChemSpider ID32696742
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

6-O-Octanoyl-α-D-allopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Allopyranoside, β-D-fructofuranosyl 6-O-(1-oxooctyl)- [ACD/Index Name]
β-D-Fructofuranosyl 6-O-octanoyl-α-D-allopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-6-O-octanoyl-α-D-allopyranosid [German] [ACD/IUPAC Name]
13039-39-9 [RN]
6-O-octanoylsucrose
6-Sucrosemonooctanoate
b-D-Fructofuranosyl a-D-glucopyranoside 6-octanoate
Caprylic acid sucrosemonoester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 3.53
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.55
ACD/KOC (pH 5.5): 187.91
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.55
ACD/KOC (pH 7.4): 187.91
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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