ChemSpider 2D Image | 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-O-(3-hydroxybenzoyl)hexopyranose | C21H25NO11

2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-O-(3-hydroxybenzoyl)hexopyranose

  • Molecular FormulaC21H25NO11
  • Average mass467.423 Da
  • Monoisotopic mass467.142761 Da
  • ChemSpider ID35472911

More details:

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

2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-O-(3-hydroxybenzoyl)hexopyranose [ACD/IUPAC Name]
2-Acetamido-3,4,6-tri-O-acetyl-2-desoxy-1-O-(3-hydroxybenzoyl)hexopyranose [German] [ACD/IUPAC Name]
2-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-1-O-(3-hydroxybenzoyl)hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate 1-(3-hydroxybenzoate) [ACD/Index Name]
3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-O-[(3-hydroxyphenyl)carbonyl]hexopyranose
3-Hydroxy-benzoic acid 4,5-diacetoxy-6-acetoxymethyl-3-acetylamino-tetrahydro-pyran-2-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 353.5±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.99
ACD/KOC (pH 5.5): 167.57
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 163.85
Polar Surface Area: 164 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 338.8±5.0 cm3

Click to predict properties on the Chemicalize site


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