ChemSpider 2D Image | (2S)-4-Amino-N-[(2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[(3xi)-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-threo-pentopyranosyl]oxy} -3-hydroxycyclohexyl]-2-hydroxybutanamide | C25H48N6O10

(2S)-4-Amino-N-[(2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[(3ξ)-3-deoxy-4-C-methyl-3-(methylamino)-β-L-threo-pentopyranosyl]oxy} -3-hydroxycyclohexyl]-2-hydroxybutanamide

  • Molecular FormulaC25H48N6O10
  • Average mass592.683 Da
  • Monoisotopic mass592.343201 Da
  • ChemSpider ID77498860

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(2S)-4-Amino-N-[(2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[(3ξ)-3-deoxy-4-C-methyl-3-(methylamino)-β-L-threo-pentopyranosyl]oxy} -3-hydroxycyclohexyl]-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-[(2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[(3ξ)-3-desoxy-4-C-methyl-3-(methylamino)-β-L-threo-pentopyranosyl]oxy }-3-hydroxycyclohexyl]-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-[(2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyéthyl)amino]méthyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[(3ξ)-3-désoxy-4-C-méthyl-3-(méthylamino)-β-L-thréo-pentopyranosyl]oxy }-3-hydroxycyclohexyl]-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-3,4-dihydro-6-[[(2-hydroxyethyl)amino]methyl]-2H-pyran-2-yl]oxy]-2-[[(3ξ)-3-deoxy-4-C-methyl-3-(methylamino)-β-L-threo-pentopyranos yl]oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
1380078-95-4 [RN]
Plazomicin Sulfate (>85%)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 495.9±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.67
ACD/LogD (pH 5.5): -10.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 422.4±5.0 cm3

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