ChemSpider 2D Image | N-acetyl-7-O-acetylneuraminic acid | C13H21NO10

N-acetyl-7-O-acetylneuraminic acid

  • Molecular FormulaC13H21NO10
  • Average mass351.306 Da
  • Monoisotopic mass351.116547 Da
  • ChemSpider ID17216006

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-acetyl-7-O-acetylneuraminic acid
(6R)-5-Acetamido-6-[(1R,2R)-1-acetoxy-2,3-dihydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-6-[(1R,2R)-1-acetoxy-2,3-dihydroxypropyl]-3,5-didesoxy-α-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
18529-63-0 [RN]
521-77-7 [RN]
Acide (6R)-5-acétamido-6-[(1R,2R)-1-acétoxy-2,3-dihydroxypropyl]-3,5-didésoxy-α-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-β-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 7-acetate [ACD/Index Name]
β-Neuraminic acid, N-acetyl-, 7-acetate
7-acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonate
7-acetate 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonic acid
More...

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 758.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

Click to predict properties on the Chemicalize site


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