ChemSpider 2D Image | (1R)-N-(Bromoacetyl)hexopyranosylamine | C8H14BrNO6

(1R)-N-(Bromoacetyl)hexopyranosylamine

  • Molecular FormulaC8H14BrNO6
  • Average mass300.104 Da
  • Monoisotopic mass299.000427 Da
  • ChemSpider ID23190474

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(1R)-N-(2-Bromoacétyl)hexopyranosylamine [French] [ACD/IUPAC Name]
(1R)-N-(Bromacetyl)hexopyranosylamin [German] [ACD/IUPAC Name]
(1R)-N-(Bromoacetyl)hexopyranosylamine [ACD/IUPAC Name]
Hexopyranosylamine, N-(2-bromoacetyl)-, (1R)- [ACD/Index Name]
2-Bromo-N-((R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetamide
CHEMBL319465

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

Density: 1.9±0.1 g/cm3
Boiling Point: 594.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 56.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.09
Polar Surface Area: 119 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 160.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement