ChemSpider 2D Image | (6S)-5-Ammonio-6-[(1R,2R)-1-ammonio-2-hydroxypropyl]-3,5-dideoxy-alpha-L-threo-hex-2-ulopyranosonate | C9H19N2O6


  • Molecular FormulaC9H19N2O6
  • Average mass251.256 Da
  • Monoisotopic mass251.123764 Da
  • ChemSpider ID28533254
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-5-Ammonio-6-[(1R,2R)-1-ammonio-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonate [ACD/IUPAC Name]
(6S)-5-Ammonio-6-[(1R,2R)-1-ammonio-2-hydroxypropyl]-3,5-didesoxy-α-L-threo-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
(6S)-5-Ammonio-6-[(1R,2R)-1-ammonio-2-hydroxypropyl]-3,5-didésoxy-α-L-thréo-hex-2-ulopyranosonate [French] [ACD/IUPAC Name]
D-glycero-β-D-galacto-2-Nonulopyranosonic acid, 5,7-diamino-3,5,7,9-tetradeoxy-, inner salt, conjugate acid [ACD/Index Name]
legionaminate cation
  • Miscellaneous
    • Chemical Class:

      An organic cation that is the conjugate acid of legionaminic acid obtained by protonation of both amino groups and deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:68668

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

Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -6.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Surface Tension:
Molar Volume:

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