ChemSpider 2D Image | (4S,5S,6R,7S,8S)-5-Acetamido-4-acetoxy-6,7,8,9-tetrahydroxy-2-oxononanoic acid | C13H21NO10

(4S,5S,6R,7S,8S)-5-Acetamido-4-acetoxy-6,7,8,9-tetrahydroxy-2-oxononanoic acid

  • Molecular FormulaC13H21NO10
  • Average mass351.306 Da
  • Monoisotopic mass351.116547 Da
  • ChemSpider ID107446557

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5S,6R,7S,8S)-5-Acetamido-4-acetoxy-6,7,8,9-tetrahydroxy-2-oxononanoic acid [ACD/IUPAC Name]
(4S,5S,6R,7S,8S)-5-Acetamido-4-acetoxy-6,7,8,9-tetrahydroxy-2-oxononansäure [German] [ACD/IUPAC Name]
Acide (4S,5S,6R,7S,8S)-5-acétamido-4-acétoxy-6,7,8,9-tétrahydroxy-2-oxononanoïque [French] [ACD/IUPAC Name]
L-glycero-D-galacto-2-Nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-, 4-acetate [ACD/Index Name]
16655-75-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -2.86
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): -6.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site


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