ChemSpider 2D Image | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybut | C27H52FN7O11

(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-β-L-threo-hexopyranosyl)-β-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybut

  • Molecular FormulaC27H52FN7O11
  • Average mass669.740 Da
  • Monoisotopic mass669.370911 Da
  • ChemSpider ID35034373

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2R,3R)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-β-L-threo-hexopyranosyl)-β-D-ribofuranos yl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide [ACD/IUPAC Name]
(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-β-L-threo-hexopyranosyl)-β-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybut
(2R,3R)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradesoxy-β-L-threo-hexopyranosyl)-β-D-ribofuran osyl]oxy}-2-hydroxycyclohexyl]-3-fluor-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2R,3R)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tétradésoxy-β-L-thréo-hexopyranosyl)-β-D-ribofuran osyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)oxy]-3-[[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-β-L-threo-hexopyranosyl)-β-D-ribofur anosyl]oxy]-2-hydroxycyclohexyl]-3-fluoro-2-hydroxy-, (2R,3R)- [ACD/Index Name]
(2r,3r)-4-Amino-N-[(1r,2s,3r,4r,5s)-5-Amino-4-[(2,6-Diamino-2,3,4,6-Tetradeoxy-α-D-Erythro-Hexopyranosyl)oxy]-3-{[3-O-(2,6-Diamino-2,3,4,6-Tetradeoxy-β-L-Threo-Hexopyranosyl)-β-D-Ribofuranosyl]oxy}-2-Hydroxycyclohexyl]-3-Fluoro-2-Hydroxybutanamide
SJP

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

Density: 1.5±0.1 g/cm3
Boiling Point: 956.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.0±6.0 kJ/mol
Flash Point: 532.3±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 17
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.31
ACD/LogD (pH 5.5): -13.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 78.3±5.0 dyne/cm
Molar Volume: 460.6±5.0 cm3

Click to predict properties on the Chemicalize site


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