ChemSpider 2D Image | (5xi,6R)-5-Acetamido-6-[(1S,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-beta-D-glycero-hex-2-ulopyranosonic acid | C13H21NO10

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

  • Molecular FormulaC13H21NO10
  • Average mass351.306 Da
  • Monoisotopic mass351.116547 Da
  • ChemSpider ID74857852

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5ξ,6R)-5-Acetamido-6-[(1S,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-β-D-glycero-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(5ξ,6R)-5-Acetamido-6-[(1S,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-didesoxy-β-D-glycero-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6R)-5-acétamido-6-[(1S,2R)-3-acétoxy-1,2-dihydroxypropyl]-3,5-didésoxy-β-D-glycéro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
β-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 9-acetate, (5ξ)- [ACD/Index Name]
N-Acetyl-O-acetylneuraminate

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

Click to predict properties on the Chemicalize site


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