ChemSpider 2D Image | N-[(Hydroxyamino)(4-nitrophenyl)methylene]hexopyranosylamine | C13H17N3O8

N-[(Hydroxyamino)(4-nitrophenyl)methylene]hexopyranosylamine

  • Molecular FormulaC13H17N3O8
  • Average mass343.289 Da
  • Monoisotopic mass343.101563 Da
  • ChemSpider ID24627103

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Hexopyranosylamine, N-[(E)-(hydroxyimino)(4-nitrophenyl)methyl]- [ACD/Index Name]
N-[(Hydroxyamino)(4-nitrophenyl)methylen]hexopyranosylamin [German] [ACD/IUPAC Name]
N-[(Hydroxyamino)(4-nitrophenyl)methylene]hexopyranosylamine [ACD/IUPAC Name]
N-[(Hydroxyamino)(4-nitrophényl)méthylène]hexopyranosylamine [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 656.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.6±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 74.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.06
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.06
Polar Surface Area: 181 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 81.9±7.0 dyne/cm
Molar Volume: 192.6±7.0 cm3

Click to predict properties on the Chemicalize site


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