ChemSpider 2D Image | beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside | C18H32O16

β-D-Fructofuranosyl-(2->1)-β-D-fructofuranosyl α-D-glucopyranoside

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID389087
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

α-D-Glucopyranoside de β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, O-β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl [ACD/Index Name]
β-D-Fructofuranosyl-(2->1)-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-(2->1)-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-2-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[470-69-9]
[β-D-Fru-(2->1)]2-α-D-Glup
1(F)-β-D-fructosylsucrose
1F-β-D-fructosylsucrose
1-Kestose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

72555_FLUKA [DBID]
C03661 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 902.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.0±6.0 kJ/mol
Flash Point: 499.9±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 122.4±5.0 dyne/cm
Molar Volume: 277.1±5.0 cm3

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