ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl 2,3-di-O-acetyl-4,6-O-benzylidene-alpha-D-glucopyranoside | C31H38O17

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

  • Molecular FormulaC31H38O17
  • Average mass682.623 Da
  • Monoisotopic mass682.210876 Da
  • ChemSpider ID30656495

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl 2,3-di-O-acetyl-4,6-O-benzylidene-α-D-glucopyranoside [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl-2,3-di-O-acetyl-4,6-O-benzyliden-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3-Di-O-acétyl-4,6-O-benzylidène-α-D-glucopyranoside de 1,3,4,6-tétra-O-acétyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl 4,6-O-(phenylmethylene)-, diacetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 293.5±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1211.30
ACD/KOC (pH 5.5): 5605.19
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1211.30
ACD/KOC (pH 7.4): 5605.19
Polar Surface Area: 204 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 492.7±5.0 cm3

Click to predict properties on the Chemicalize site


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