ChemSpider 2D Image | 2-Acetamido-3-O-acetyl-1,5-anhydro-4,6-O-benzylidene-2-deoxy-D-glucitol | C17H21NO6

2-Acetamido-3-O-acetyl-1,5-anhydro-4,6-O-benzylidene-2-deoxy-D-glucitol

  • Molecular FormulaC17H21NO6
  • Average mass335.352 Da
  • Monoisotopic mass335.136902 Da
  • ChemSpider ID30658742

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Acetamido-3-O-acetyl-1,5-anhydro-4,6-O-benzyliden-2-desoxy-D-glucitol [German] [ACD/IUPAC Name]
2-Acetamido-3-O-acetyl-1,5-anhydro-4,6-O-benzylidene-2-deoxy-D-glucitol [ACD/IUPAC Name]
2-Acétamido-3-O-acétyl-1,5-anhydro-4,6-O-benzylidène-2-désoxy-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 2-(acetylamino)-1,5-anhydro-2-deoxy-4,6-O-(phenylmethylene)-, 3-acetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.14
ACD/KOC (pH 5.5): 195.47
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.14
ACD/KOC (pH 7.4): 195.47
Polar Surface Area: 83 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 262.0±5.0 cm3

Click to predict properties on the Chemicalize site


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