ChemSpider 2D Image | 3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE | C20H36O12

3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE

  • Molecular FormulaC20H36O12
  • Average mass468.493 Da
  • Monoisotopic mass468.220673 Da
  • ChemSpider ID26329703

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE
3-O-Octanoyl-β-L-glucopyranoside de β-L-fructofuranosyle [French] [ACD/IUPAC Name]
β-L-Fructofuranosyl 3-O-octanoyl-β-L-glucopyranoside [ACD/IUPAC Name]
β-L-Fructofuranosyl-3-O-octanoyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside, β-L-fructofuranosyl 3-O-(1-oxooctyl)- [ACD/Index Name]
(2R,3S,4R,5S,6S)-2-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 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: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 239.1±26.4 °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: 2.43
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.57
ACD/KOC (pH 5.5): 118.92
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.57
ACD/KOC (pH 7.4): 118.92
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

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