ChemSpider 2D Image | (3'R,3aS,4S,4'R,5'R,6R,6'R,7S,7aS)-4-{[(2S,3R,5S,6R)-3-Amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2 ,2'-pyran]-3',4',5',7-tetrol | C20H37N3O13

(3'R,3aS,4S,4'R,5'R,6R,6'R,7S,7aS)-4-{[(2S,3R,5S,6R)-3-Amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2 ,2'-pyran]-3',4',5',7-tetrol

  • Molecular FormulaC20H37N3O13
  • Average mass527.520 Da
  • Monoisotopic mass527.232666 Da
  • ChemSpider ID25070002

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3'R,3aS,4S,4'R,5'R,6R,6'R,7S,7aS)-4-{[(2S,3R,5S,6R)-3-Amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2 ,2'-pyran]-3',4',5',7-tetrol [ACD/IUPAC Name]
[31282-04-9] [RN]
ABT-538 | A-84538 | Abbot 84538 |
WK2130000

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

UN3462 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Aminoglycoside antibiotic. Active against both prokaryotic and eukaryotic cells. Inhibits protein synthesis by binding to the 30S subunit and inhibiting the ribosomal translocation step of elongation. Tocris Bioscience 4137
      Aminoglycoside antibiotic; active against prokaryotic and eukaryotic cells Tocris Bioscience 4137
      Antibiotics Tocris Bioscience 4137
      Other Pharmacology Tocris Bioscience 4137

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

Density: 1.7±0.1 g/cm3
Boiling Point: 897.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.2±6.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -5.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 315.1±5.0 cm3

Click to predict properties on the Chemicalize site


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