ChemSpider 2D Image | (4R,5R,6S,7R,8R)-5,7-Diacetamido-4,6,8-trihydroxy-2-oxononanoic acid | C13H22N2O8

(4R,5R,6S,7R,8R)-5,7-Diacetamido-4,6,8-trihydroxy-2-oxononanoic acid

  • Molecular FormulaC13H22N2O8
  • Average mass334.322 Da
  • Monoisotopic mass334.137604 Da
  • ChemSpider ID67496935

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,5R,6S,7R,8R)-5,7-Diacetamido-4,6,8-trihydroxy-2-oxononanoic acid [ACD/IUPAC Name]
(4R,5R,6S,7R,8R)-5,7-Diacetamido-4,6,8-trihydroxy-2-oxononansäure [German] [ACD/IUPAC Name]
Acide (4R,5R,6S,7R,8R)-5,7-diacétamido-4,6,8-trihydroxy-2-oxononanoïque [French] [ACD/IUPAC Name]
D-glycero-D-talo-2-Nonulosonic acid, 5,7-bis(acetylamino)-3,5,7,9-tetradeoxy- [ACD/Index Name]
5,7-diacetamido-3,5,7,9-tetradeoxy-d-glycero-d-talo-non-2-ulosonic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 420.3±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.47
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 241.1±3.0 cm3

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