ChemSpider 2D Image | (6R)-5-Acetamido-4-ammonio-2,6-anhydro-3,4,5-trideoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonate | C11H18N2O7

(6R)-5-Acetamido-4-ammonio-2,6-anhydro-3,4,5-trideoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonate

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID23241028

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-4-ammonio-2,6-anhydro-3,4,5-trideoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonate [ACD/IUPAC Name]
(6R)-5-Acetamido-4-ammonio-2,6-anhydro-3,4,5-tridesoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonat [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-4-ammonio-2,6-anhydro-3,4,5-tridésoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-énonate [French] [ACD/IUPAC Name]
L-erythro-Non-2-enonic acid, 5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy- [ACD/Index Name]
4-ammonio-3-methylcarboxamido-2-(1,2,3-trihydroxypropyl)-(3R,4S)-3,4-dihydro-2H-6-pyrancarboxylate

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

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

Click to predict properties on the Chemicalize site


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