ChemSpider 2D Image | (2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2,6-diamino-2,4,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy]-3-hydroxy-2-(alpha-D-lyxofuranosyloxy)cyclohexyl]-2-hydroxybutanamide | C21H41N5O11

(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2,6-diamino-2,4,6-trideoxy-β-L-lyxo-hexopyranosyl)oxy]-3-hydroxy-2-(α-D-lyxofuranosyloxy)cyclohexyl]-2-hydroxybutanamide

  • Molecular FormulaC21H41N5O11
  • Average mass539.577 Da
  • Monoisotopic mass539.280273 Da
  • ChemSpider ID78443303

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2,6-diamino-2,4,6-trideoxy-β-L-lyxo-hexopyranosyl)oxy]-3-hydroxy-2-(α-D-lyxofuranosyloxy)cyclohexyl]-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2,6-diamino-2,4,6-tridesoxy-β-L-lyxo-hexopyranosyl)oxy]-3-hydroxy-2-(α-D-lyxofuranosyloxy)cyclohexyl]-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2,6-diamino-2,4,6-tridésoxy-β-L-lyxo-hexopyranosyl)oxy]-3-hydroxy-2-(α-D-lyxofuranosyloxy)cyclohexyl]-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2,6-diamino-2,4,6-trideoxy-β-L-lyxo-hexopyranosyl)oxy]-3-hydroxy-2-(α-D-lyxofuranosyloxy)cyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
4'-deoxybutirosin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 922.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.3±6.0 kJ/mol
Flash Point: 511.7±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: -3.78
ACD/LogD (pH 5.5): -10.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.06
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


Advertisement