ChemSpider 2D Image | hygromycin B(3+) | C20H40N3O13

hygromycin B(3+)

  • Molecular FormulaC20H40N3O13
  • Average mass530.542 Da
  • Monoisotopic mass530.254456 Da
  • ChemSpider ID27471287

  • Charge - Charge

    defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(1S,3R,4S,5R,6R)-5-{[(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-6'-[(1S)-1-Ammonio-2-hydroxyethyl]-3',4',5',7-tetrahydroxy-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-4-yl]oxy}- 4,6-dihydroxy-N-methyl-1,3-cyclohexanediaminium [ACD/IUPAC Name]
hygromycin B(3+)
(1R,2S,3R,5S,6R)-3-azaniumyl-2,6-dihydroxy-5-(methylazaniumyl)cyclohexyl O-6-azaniumyl-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-β-D-talopyranoside
hygromycin B trication

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

CHEBI:57971 [DBID]
  • Miscellaneous

    • Chemical Class:

      An ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3. ChEBI CHEBI:57971

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

Density:
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:
Molar Refractivity:
#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: 280 Å2
Polarizability:
Surface Tension:
Molar Volume:

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