ChemSpider 2D Image | 2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid | C11H17NO8

2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid

  • Molecular FormulaC11H17NO8
  • Average mass291.255 Da
  • Monoisotopic mass291.095428 Da
  • ChemSpider ID26330172

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-2,6-anhydro-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,5-didesoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
Acide (6R)-5-acétamido-2,6-anhydro-3,5-didésoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
L-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy- [ACD/Index Name]
(2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
(4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
2,3-Dehydro-2-deoxy-N-acetylneuraminic acid
NADNA

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

Density: 1.6±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 421.6±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 183.4±5.0 cm3

Click to predict properties on the Chemicalize site


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