Found 7 results

Search term: KBGAYAKRZNYFFG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S,5S,6R,7S,8R)-5-Acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid | C11H19NO9

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

  • Molecular FormulaC11H19NO9
  • Average mass309.270 Da
  • Monoisotopic mass309.105988 Da
  • ChemSpider ID74176742

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5S,6R,7S,8R)-5-Acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid [ACD/IUPAC Name]
(4S,5S,6R,7S,8R)-5-Acetamido-4,6,7,8,9-pentahydroxy-2-oxononansäure [German] [ACD/IUPAC Name]
Acide (4S,5S,6R,7S,8R)-5-acétamido-4,6,7,8,9-pentahydroxy-2-oxononanoïque [French] [ACD/IUPAC Name]
D-glycero-D-gulo-2-Nonulosonic acid, 5-(acetylamino)-3,5-dideoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 762.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 414.8±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.98
ACD/LogD (pH 5.5): -6.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 85.8±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

Click to predict properties on the Chemicalize site


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