ChemSpider 2D Image | 2-Deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexopyranose | C12H14N4O8

2-Deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexopyranose

  • Molecular FormulaC12H14N4O8
  • Average mass342.262 Da
  • Monoisotopic mass342.081177 Da
  • ChemSpider ID48063631

More details:

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

2-Deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexopyranose [ACD/IUPAC Name]
2-Desoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 2-deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]- [ACD/Index Name]
186689-07-6 [RN]
2-NBDG [Wiki]
6-(hydroxymethyl)-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]oxane-2,4,5-triol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 707.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.7±35.7 °C
Index of Refraction: 1.770
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.89
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.89
Polar Surface Area: 187 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 106.3±3.0 dyne/cm
Molar Volume: 187.2±3.0 cm3

Click to predict properties on the Chemicalize site


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