ChemSpider 2D Image | 4-Aminophenyl (5xi,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-2-thio-alpha-D-glycero-hex-2-ulopyranosidonic acid | C19H26N2O9S

4-Aminophenyl (5ξ,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-2-thio-α-D-glycero-hex-2-ulopyranosidonic acid

  • Molecular FormulaC19H26N2O9S
  • Average mass458.483 Da
  • Monoisotopic mass458.135895 Da
  • ChemSpider ID68024393

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-Aminophenyl (5ξ,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-2-thio-α-D-glycero-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
4-Aminophenyl-(5ξ,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-didesoxy-2-thio-α-D-glycero-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6R)-5-acétamido-6-[(1R,2R)-3-acétoxy-1,2-dihydroxypropyl]-3,5-didésoxy-2-thio-α-D-glycéro-hex-2-ulopyranosidonique de 4-aminophényle [French] [ACD/IUPAC Name]
α-D-gluco-2-Nonulopyranosidonic acid, 4-aminophenyl 5-(acetylamino)-3,5-dideoxy-2-thio-, 9-acetate, (5ξ)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 844.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 464.6±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 81.3±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

Click to predict properties on the Chemicalize site


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