ChemSpider 2D Image | 4-Nitrophenyl 2-acetamido-3,6-di-O-benzoyl-2-deoxy-beta-D-glucopyranoside | C28H26N2O10

4-Nitrophenyl 2-acetamido-3,6-di-O-benzoyl-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC28H26N2O10
  • Average mass550.513 Da
  • Monoisotopic mass550.158752 Da
  • ChemSpider ID57361479

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

((2R,3S,4R,5R,6S)-5-Acetamido-4-(benzoyloxy)-3-hydroxy-6-(4-nitrophenoxy)tetrahydro-2H-pyran-2-yl)methyl benzoate
132498-72-7 [RN]
2-Acétamido-3,6-di-O-benzoyl-2-désoxy-β-D-glucopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 2-acetamido-3,6-di-O-benzoyl-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-2-acetamido-3,6-di-O-benzoyl-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-, 3,6-dibenzoate [ACD/Index Name]
84564-22-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 376.11
ACD/KOC (pH 5.5): 2426.67
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 376.10
ACD/KOC (pH 7.4): 2426.64
Polar Surface Area: 166 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

Click to predict properties on the Chemicalize site


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