ChemSpider 2D Image | (2R)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide | C20H43N7O8

(2R)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

  • Molecular FormulaC20H43N7O8
  • Average mass509.598 Da
  • Monoisotopic mass509.317322 Da
  • ChemSpider ID5022679
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2R)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
(2R)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2R)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoéthyl)amino]éthoxy}-4-[(2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-[2-[(2-aminoethyl)amino]ethoxy]-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2R)- [ACD/Index Name]
AB9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 843.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.3±6.0 kJ/mol
Flash Point: 463.7±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 16
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -12.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 363.5±5.0 cm3

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