ChemSpider 2D Image | beta-D-Fructofuranosyl-(2->1)-(4xi)-beta-D-threo-hex-2-ulofuranosyl alpha-D-glucopyranoside | C18H32O16

β-D-Fructofuranosyl-(2->1)-(4ξ)-β-D-threo-hex-2-ulofuranosyl α-D-glucopyranoside

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID141013

  • defined stereocentres - 12 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)-(4ξ)-β-D-thréo-hex-2-ulofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, O-β-D-fructofuranosyl-(2->1)-(4ξ)-β-D-threo-2-hexulofuranosyl [ACD/Index Name]
β-D-Fructofuranosyl-(2->1)-(4ξ)-β-D-threo-hex-2-ulofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-(2->1)-(4ξ)-β-D-threo-hex-2-ulofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-2-{[(2S,3S,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
1-Kestose
207-429-4 [EINECS]
470-69-9 [RN]
Kestose, 1-
O-β-D-Fructofuranosyl-(2.1)-β-D-fructofuranosyl-α-D-glucopyranoside

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

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

Click to predict properties on the Chemicalize site


Advertisement