ChemSpider 2D Image | 4-amino-2-deoxy-2,3-dehydro-n-neuraminic acid | C11H18N2O7

4-amino-2-deoxy-2,3-dehydro-n-neuraminic acid

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID26329969

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-4-amino-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-4-amino-2,6-anhydro-3,4,5-tridesoxy-6-[(2S)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
4-amino-2-deoxy-2,3-dehydro-n-neuraminic acid
Acide (6R)-5-acétamido-4-amino-2,6-anhydro-3,4,5-tridésoxy-6-[(2S)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
L-altro-Non-2-enonic acid, 5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy- [ACD/Index Name]
(2R,3R,4S)-4-amino-3-acetamido-2-[(1R,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
(4S,5R,6R)-4-amino-5-acetamido-6-[(1R,2S)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid

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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