ChemSpider 2D Image | (6S)-5-Acetamido-6-[(1R,2R)-3-ammonio-1,2-dihydroxypropyl]-2,6-anhydro-3,5-dideoxy-D-threo-hex-2-enonate | C11H18N2O7

(6S)-5-Acetamido-6-[(1R,2R)-3-ammonio-1,2-dihydroxypropyl]-2,6-anhydro-3,5-dideoxy-D-threo-hex-2-enonate

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID62573843

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S)-5-Acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,6-anhydro-3,5-dideoxy-D-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6S)-5-Acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,6-anhydro-3,5-didesoxy-D-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
(6S)-5-Acetamido-6-[(1R,2R)-3-ammonio-1,2-dihydroxypropyl]-2,6-anhydro-3,5-dideoxy-D-threo-hex-2-enonate [ACD/IUPAC Name]
(6S)-5-Acetamido-6-[(1R,2R)-3-ammonio-1,2-dihydroxypropyl]-2,6-anhydro-3,5-didesoxy-D-threo-hex-2-enonat [German] [ACD/IUPAC Name]
(6S)-5-Acétamido-6-[(1R,2R)-3-ammonio-1,2-dihydroxypropyl]-2,6-anhydro-3,5-didésoxy-D-thréo-hex-2-énonate [French] [ACD/IUPAC Name]
Acide (6S)-5-acétamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,6-anhydro-3,5-didésoxy-D-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-altro-Non-2-enonic acid, 5-(acetylamino)-9-amino-2,6-anhydro-3,5,9-trideoxy- [ACD/Index Name]
D-glycero-D-altro-Non-2-enonic acid, 5-(acetylamino)-9-ammonio-2,6-anhydro-3,5,9-trideoxy-, inner salt [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: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.2±6.0 kJ/mol
Flash Point: 405.3±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: -2.92
ACD/LogD (pH 5.5): -5.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
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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