ChemSpider 2D Image | 4-Amino-N-{(2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-alpha-L-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-L-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide | C22H45N7O9

4-Amino-N-{(2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-α-L-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-L-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

  • Molecular FormulaC22H45N7O9
  • Average mass551.634 Da
  • Monoisotopic mass551.327881 Da
  • ChemSpider ID68024441
  • defined stereocentres - 12 of 14 defined stereocentres


More details:






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

4-Amino-N-{(2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-α-L-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-L-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
4-Amino-N-{(2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-didesoxy-α-L-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradesoxy-α-L-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
4-Amino-N-{(2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-didésoxy-α-L-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tétradésoxy-α-L-érythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid e [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(2S,3S,4R,5S)-5-amino-2-[(2,3-diamino-2,3-dideoxy-α-L-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-L-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydrox y- [ACD/Index Name]
2''-Amino-2''-deoxyarbekacin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 880.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.4±6.0 kJ/mol
Flash Point: 486.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -12.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 380.7±5.0 cm3

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