ChemSpider 2D Image | (5xi,6S)-5-Acetamido-4-amino-2,6-anhydro-3,4,5-trideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-glycero-hex-2-enonic acid | C11H18N2O7

(5ξ,6S)-5-Acetamido-4-amino-2,6-anhydro-3,4,5-trideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-glycero-hex-2-enonic acid

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID71360745

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ,6S)-5-Acetamido-4-amino-2,6-anhydro-3,4,5-trideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-glycero-hex-2-enonic acid [ACD/IUPAC Name]
(5ξ,6S)-5-Acetamido-4-amino-2,6-anhydro-3,4,5-tridesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-glycero-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6S)-5-acétamido-4-amino-2,6-anhydro-3,4,5-tridésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-glycéro-hex-2-énonique [French] [ACD/IUPAC Name]
D-altro-Non-2-enonic acid, 5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-, (5ξ)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 398.0±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -5.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 189.6±5.0 cm3

Click to predict properties on the Chemicalize site


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