ChemSpider 2D Image | Neokestose | C18H32O16

Neokestose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID10190530
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

3688-75-3 [RN]
Neokestose
α-D-Glucopyranoside, β-D-fructofuranosyl O-β-D-fructofuranosyl-(2->6)- [ACD/Index Name]
β-D-Fructofuranosyl β-D-fructofuranosyl-(2->6)-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-(2->6)-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
β-D-Fructofuranosyl-β-D-fructofuranosyl-(2->6)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6G-kestotriose
Kestose, neo-
kestotriose

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: -0.35
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
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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