ChemSpider 2D Image | (5xi,6R)-5-Acetamido-3,5-dideoxy-6-[(1R)-1,3-dihydroxypropyl]-beta-D-glycero-hex-2-ulopyranosonic acid | C11H19NO8

(5ξ,6R)-5-Acetamido-3,5-dideoxy-6-[(1R)-1,3-dihydroxypropyl]-β-D-glycero-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H19NO8
  • Average mass293.271 Da
  • Monoisotopic mass293.111053 Da
  • ChemSpider ID68026695

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ,6R)-5-Acetamido-3,5-dideoxy-6-[(1R)-1,3-dihydroxypropyl]-β-D-glycero-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(5ξ,6R)-5-Acetamido-3,5-didesoxy-6-[(1R)-1,3-dihydroxypropyl]-β-D-glycero-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6R)-5-acétamido-3,5-didésoxy-6-[(1R)-1,3-dihydroxypropyl]-β-D-glycéro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
β-D-xylo-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5,8-trideoxy-, (5ξ)- [ACD/Index Name]
N-Acetyl-8-deoxyneuraminic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 400.5±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 190.0±5.0 cm3

Click to predict properties on the Chemicalize site


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