ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-2-[(bromoacetyl)amino]-2-deoxyhexopyranose | C16H22BrNO10

1,3,4,6-Tetra-O-acetyl-2-[(bromoacetyl)amino]-2-deoxyhexopyranose

  • Molecular FormulaC16H22BrNO10
  • Average mass468.251 Da
  • Monoisotopic mass467.042694 Da
  • ChemSpider ID23239077

More details:






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

1,3,4,6-Tétra-O-acétyl-2-[(2-bromoacétyl)amino]-2-désoxyhexopyranose [French] [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-[(bromacetyl)amino]-2-desoxyhexopyranose [German] [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-[(bromoacetyl)amino]-2-deoxyhexopyranose [ACD/IUPAC Name]
Hexopyranose, 2-[(2-bromoacetyl)amino]-2-deoxy-, 1,3,4,6-tetraacetate [ACD/Index Name]
Acetic acid 4,5-diacetoxy-6-acetoxymethyl-3-(2-bromo-acetylamino)-tetrahydro-pyran-2-yl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.5±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 62.15
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 62.13
Polar Surface Area: 144 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 312.7±5.0 cm3

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