ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-alpha-D-fructofuranosyl 2-O-acetyl-alpha-D-glucopyranoside | C22H32O16

1,3,4,6-Tetra-O-acetyl-α-D-fructofuranosyl 2-O-acetyl-α-D-glucopyranoside

  • Molecular FormulaC22H32O16
  • Average mass552.480 Da
  • Monoisotopic mass552.169006 Da
  • ChemSpider ID167017
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

1,3,4,6-Tetra-O-acetyl-α-D-fructofuranosyl 2-O-acetyl-α-D-glucopyranoside [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-α-D-fructofuranosyl-2-O-acetyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-α-D-glucopyranoside de 1,3,4,6-tétra-O-acétyl-α-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-α-D-fructofuranosyl, 2-acetate [ACD/Index Name]
149057-51-2 [RN]
2,1',3',4',6'-Penta-O-acetylsucrose
5Ac-Sucrose

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 212.7±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.73
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.73
Polar Surface Area: 220 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 381.9±5.0 cm3

Click to predict properties on the Chemicalize site






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