ChemSpider 2D Image | (2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-fluorocyclohexyl}-2-hydroxybutanamide | C22H43FN6O9

(2S)-4-Amino-N-{(1R,2S,3S,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-fluorocyclohexyl}-2-hydroxybutanamide

  • Molecular FormulaC22H43FN6O9
  • Average mass554.610 Da
  • Monoisotopic mass554.307556 Da
  • ChemSpider ID130382

  • 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-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-fluorocyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3S,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-fluorcyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3S,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-fluorocyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3S,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-fluorocyclohexyl]-2-hydroxy-, (2 S)- [ACD/Index Name]
(S)-O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2,5-dideoxy-5-fluoro-D-streptamine
119783-91-4 [RN]
5-Deoxy-5-epi-5-fluoro-arbekacin
5-Deoxy-5-fluoroarbekacin
D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2,5-dideoxy-5-fluoro-, (S)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 870.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.7±6.0 kJ/mol
Flash Point: 480.2±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 15
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.58
ACD/LogD (pH 5.5): -11.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 382.1±5.0 cm3

Click to predict properties on the Chemicalize site


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