ChemSpider 2D Image | 2,3,6-Tri-O-acetyl-4-O-(2,3-di-O-acetyl-4,6-O-benzylidene-alpha-D-glucopyranosyl)-alpha-D-glucopyranose | C29H36O16

2,3,6-Tri-O-acetyl-4-O-(2,3-di-O-acetyl-4,6-O-benzylidene-α-D-glucopyranosyl)-α-D-glucopyranose

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID9344755

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2,3,6-Tri-O-acetyl-4-O-(2,3-di-O-acetyl-4,6-O-benzylidene-α-D-glucopyranosyl)-α-D-glucopyranose [ACD/IUPAC Name]
2,3,6-Tri-O-acétyl-4-O-(2,3-di-O-acétyl-4,6-O-benzylidène-α-D-glucopyranosyl)-α-D-glucopyranose [French] [ACD/IUPAC Name]
2,3,6-Tri-O-acetyl-4-O-(2,3-di-O-acetyl-4,6-O-benzyliden-α-D-glucopyranosyl)-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranose, 4-O-[2,3-di-O-acetyl-4,6-O-(phenylmethylene)-α-D-glucopyranosyl]-, 2,3,6-triacetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 219.7±26.4 °C
Index of Refraction: 1.555
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.28
ACD/KOC (pH 5.5): 630.91
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.27
ACD/KOC (pH 7.4): 630.86
Polar Surface Area: 198 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 456.1±5.0 cm3

Click to predict properties on the Chemicalize site


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