ChemSpider 2D Image | (1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-{[(2S)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside | C22H44N6O10

(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-{[(2S)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside

  • Molecular FormulaC22H44N6O10
  • Average mass552.619 Da
  • Monoisotopic mass552.311890 Da
  • ChemSpider ID23089715

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-{[(2S)-4-amino-2-hydroxybutanoyl]amino}-3-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-{[(2S)-4-amino-2-hydroxybutanoyl]amino}-3-desoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl-2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranoside de (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-{[(2S)-4-amino-2-hydroxybutanoyl]amino}-3-désoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-[[(2S)-4-amino-2-hydroxy-1-oxobutyl]amino]-3-deoxy-α-D-glucopyranosyl]oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy- [ACD/Index Name]
Arbekacin [INN] [Wiki]

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

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: -4.03
ACD/LogD (pH 5.5): -11.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.67
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

Click to predict properties on the Chemicalize site


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