ChemSpider 2D Image | legionaminic acid | C9H18N2O6

legionaminic acid

  • Molecular FormulaC9H18N2O6
  • Average mass250.249 Da
  • Monoisotopic mass250.116486 Da
  • ChemSpider ID28533261
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(6S)-5-Amino-6-[(1R,2R)-1-amino-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6S)-5-Amino-6-[(1R,2R)-1-amino-2-hydroxypropyl]-3,5-didesoxy-α-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6S)-5-amino-6-[(1R,2R)-1-amino-2-hydroxypropyl]-3,5-didésoxy-α-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-β-D-galacto-2-Nonulopyranosonic acid, 5,7-diamino-3,5,7,9-tetradeoxy- [ACD/Index Name]
legionaminic acid
(6S)-5-amino-6-[(1R,2R)-1-amino-2-hydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonate
5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-β-D-galacto-non-2-ulopyranosonic acid
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68676
  • Miscellaneous
    • Chemical Class:

      A ketoaldonic acid derivative that is <stereo>beta</stereo>-neuraminic acid in which the hydroxy groups at positions 7 and 9 are substituted by an amino group and hydrogen respectively. ChEBI CHEBI:68676
      A ketoaldonic acid derivative that is beta-neuraminic acid in which the hydroxy groups at positions 7 and 9 are substituted by an amino group and hydrogen respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68676

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

Density: 1.5±0.1 g/cm3
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: 1.605
Molar Refractivity: 56.3±0.3 cm3
#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: 159 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 87.7±3.0 dyne/cm
Molar Volume: 163.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement