ChemSpider 2D Image | (4S,5R,6R,7R,8R)-5-Acetamido-9-amino-4,6,7,8-tetrahydroxy-2-oxononanoic acid | C11H20N2O8

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

  • Molecular FormulaC11H20N2O8
  • Average mass308.285 Da
  • Monoisotopic mass308.121979 Da
  • ChemSpider ID58170978

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5R,6R,7R,8R)-5-Acetamido-9-amino-4,6,7,8-tetrahydroxy-2-oxononanoic acid [ACD/IUPAC Name]
(4S,5R,6R,7R,8R)-5-Acetamido-9-amino-4,6,7,8-tetrahydroxy-2-oxononansäure [German] [ACD/IUPAC Name]
Acide (4S,5R,6R,7R,8R)-5-acétamido-9-amino-4,6,7,8-tétrahydroxy-2-oxononanoïque [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulosonic acid, 5-(acetylamino)-9-amino-3,5,9-trideoxy- [ACD/Index Name]
112037-47-5 [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: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -5.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 82.3±3.0 dyne/cm
Molar Volume: 203.4±3.0 cm3

Click to predict properties on the Chemicalize site


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