ChemSpider 2D Image | (2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-[(4-amino-4,6-dideoxy-beta-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanami de | C22H44N6O9

(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-[(4-amino-4,6-dideoxy-β-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanami de

  • Molecular FormulaC22H44N6O9
  • Average mass536.620 Da
  • Monoisotopic mass536.316956 Da
  • ChemSpider ID9738687

  • 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-3-[(4-amino-4,6-dideoxy-β-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanami de [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-[(4-amino-4,6-didesoxy-β-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutana mid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-[(4-amino-4,6-didésoxy-β-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutana mide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(4-amino-4,6-dideoxy-β-D-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-2-hydroxycyclohexyl]-2-hydroxy- , (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 843.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 464.0±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 15
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.52
ACD/LogD (pH 5.5): -11.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site


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