ChemSpider 2D Image | (2s)-4-Amino-N-{(1r,2s,3r,4r,5s)-5-Amino-3-{[3-O-(2,6-Diamino-2,6-Dideoxy-Beta-L-Idopyranosyl)-Beta-D-Ribofuranosyl]oxy}-4-[(2,6-Diamino-2,4,6-Trideoxy-4-Fluoro-Alpha-D-Galactopyranosyl)oxy]-2-Hydroxycyclohexyl}-2-Hydroxybutanamide | C27H52FN7O14

(2s)-4-Amino-N-{(1r,2s,3r,4r,5s)-5-Amino-3-{[3-O-(2,6-Diamino-2,6-Dideoxy-β-L-Idopyranosyl)-β-D-Ribofuranosyl]oxy}-4-[(2,6-Diamino-2,4,6-Trideoxy-4-Fluoro-α-D-Galactopyranosyl)oxy]-2-Hydroxycyclohexyl}-2-Hydroxybutanamide

  • Molecular FormulaC27H52FN7O14
  • Average mass717.739 Da
  • Monoisotopic mass717.355652 Da
  • ChemSpider ID35034140

  • defined stereocentres - 20 of 20 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-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-α-D-galactopyranosyl)oxy]-2-hydroxy cyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
(2s)-4-Amino-N-{(1r,2s,3r,4r,5s)-5-Amino-3-{[3-O-(2,6-Diamino-2,6-Dideoxy-β-L-Idopyranosyl)-β-D-Ribofuranosyl]oxy}-4-[(2,6-Diamino-2,4,6-Trideoxy-4-Fluoro-α-D-Galactopyranosyl)oxy]-2-Hydroxycyclohexyl}-2-Hydroxybutanamide
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-4-[(2,6-diamino-2,4,6-tridésoxy-4-fluoro-α-D-galactopyranosyl)oxy]-2-hydro xycyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-4-[(2,6-diamino-2,4,6-tridesoxy-4-fluor-α-D-galactopyranosyl)oxy]-2-hydrox ycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy]-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-α-D-galactopyranosyl)oxy]-2- hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
NMZ

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1059.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.6±6.0 kJ/mol
Flash Point: 594.7±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 165.3±0.4 cm3
#H bond acceptors: 21
#H bond donors: 20
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.32
ACD/LogD (pH 5.5): -13.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 382 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 454.0±5.0 cm3

Click to predict properties on the Chemicalize site


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