ChemSpider 2D Image | NBD-Fructose | C12H14N4O8

NBD-Fructose

  • Molecular FormulaC12H14N4O8
  • Average mass342.262 Da
  • Monoisotopic mass342.081177 Da
  • ChemSpider ID35519228

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-D-fructose [ACD/IUPAC Name]
1-Desoxy-1-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-D-fructose [German] [ACD/IUPAC Name]
1-Désoxy-1-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-D-fructose [French] [ACD/IUPAC Name]
940961-04-6 [RN]
D-Fructose, 1-deoxy-1-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]- [ACD/Index Name]
NBD-Fructose
97278-44-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 748.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.4±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.77
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.77
Polar Surface Area: 195 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 109.7±3.0 dyne/cm
Molar Volume: 194.9±3.0 cm3

Click to predict properties on the Chemicalize site


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