ChemSpider 2D Image | (1S,2S,3R,4S,6R)-4-Ammonio-3-[(6-ammonio-6-deoxy-alpha-D-glucopyranosyl)oxy]-6-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl 3-ammonio-3-deoxy-alpha-D-glucopyranoside | C22H47N5O13

(1S,2S,3R,4S,6R)-4-Ammonio-3-[(6-ammonio-6-deoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl 3-ammonio-3-deoxy-α-D-glucopyranoside

  • Molecular FormulaC22H47N5O13
  • Average mass589.632 Da
  • Monoisotopic mass589.314819 Da
  • ChemSpider ID34449081

  • Charge - Charge

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1S,2S,3R,4S,6R)-4-Ammonio-3-[(6-ammonio-6-deoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl 3-ammonio-3-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4-Ammonio-3-[(6-ammonio-6-desoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl-3-ammonio-3-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
3-Ammonio-3-désoxy-α-D-glucopyranoside de (1S,2S,3R,4S,6R)-4-ammonio-3-[(6-ammonio-6-désoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, conjugate tetraacid, (2 S)- [ACD/Index Name]
(1S,2S,3R,4S,6R)-4-azaniumyl-3-[(6-azaniumyl-6-deoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-azaniumyl-2-hydroxybutanoyl]amino}-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-α-D-glucopyranoside
amikacin(4+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the four free amino groups of amikacin; major species at pH 7.3. ChEBI CHEBI:84739

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

Density:
Boiling Point: 981.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.2±6.0 kJ/mol
Flash Point: 547.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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