ChemSpider 2D Image | 2,3,4-Tri-O-acetyl-N-[2-methyl-3,5-dinitro-4-(3-pentanylamino)benzyl]-beta-L-xylopyranosylamine | C24H34N4O11

2,3,4-Tri-O-acetyl-N-[2-methyl-3,5-dinitro-4-(3-pentanylamino)benzyl]-β-L-xylopyranosylamine

  • Molecular FormulaC24H34N4O11
  • Average mass554.547 Da
  • Monoisotopic mass554.222412 Da
  • ChemSpider ID24740487

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,3,4-Tri-O-acetyl-N-[2-methyl-3,5-dinitro-4-(3-pentanylamino)benzyl]-β-L-xylopyranosylamin [German] [ACD/IUPAC Name]
2,3,4-Tri-O-acetyl-N-[2-methyl-3,5-dinitro-4-(3-pentanylamino)benzyl]-β-L-xylopyranosylamine [ACD/IUPAC Name]
2,3,4-Tri-O-acétyl-N-[2-méthyl-3,5-dinitro-4-(3-pentanylamino)benzyl]-β-L-xylopyranosylamine [French] [ACD/IUPAC Name]
β-L-Xylopyranosylamine, N-[[4-[(1-ethylpropyl)amino]-2-methyl-3,5-dinitrophenyl]methyl]-, 2,3,4-triacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2450.02
ACD/KOC (pH 5.5): 9203.97
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2521.35
ACD/KOC (pH 7.4): 9471.93
Polar Surface Area: 204 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 419.0±5.0 cm3

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