ChemSpider 2D Image | Arbekacin | C22H44N6O10

Arbekacin

  • Molecular FormulaC22H44N6O10
  • Average mass552.619 Da
  • Monoisotopic mass552.311890 Da
  • ChemSpider ID9573665

  • 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,3R,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-[(3-amino-3-désoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid e [French] [ACD/IUPAC Name]
Arbekacin [INN] [Wiki]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, ( 2S)- [ACD/Index Name]
butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)-
(S)-4-amino-N-((1R,2S,3R,4R,5S)-5-amino-2-((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4-((2R,3R,6S)-3-amino-6-(aminomethyl)-tetrahydro-2H-pyran-2-yloxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide
Habekacin [Trade name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 904.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.2±6.0 kJ/mol
Flash Point: 500.5±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.00
ACD/LogD (pH 5.5): -11.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

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