ChemSpider 2D Image | 4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]butanamide | C21H41N5O11

4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-xylofuranosyloxy)cyclohexyl]butanamide

  • Molecular FormulaC21H41N5O11
  • Average mass539.577 Da
  • Monoisotopic mass539.280273 Da
  • ChemSpider ID21270075

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-xylofuranosyloxy)cyclohexyl]butanamide [ACD/IUPAC Name]
4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-xylofuranosyloxy)cyclohexyl]butanamid [German] [ACD/IUPAC Name]
4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-xylofuranosyloxy)cyclohexyl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-xylofuranosyloxy)cyclohexyl]- [ACD/Index Name]
D-Streptamine, O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1-4)-O-(β-D-xylofuranosyl-(1-5))-N(sup 1)-(4-aminobutyryl)-2-deoxy-
Z-1159-5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 896.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 496.1±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 15
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.19
ACD/LogD (pH 5.5): -10.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

Click to predict properties on the Chemicalize site


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