ChemSpider 2D Image | Methyl (5xi,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-beta-D-glycero-hex-2-ulopyranosidonic acid | C14H23NO10

Methyl (5ξ,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-β-D-glycero-hex-2-ulopyranosidonic acid

  • Molecular FormulaC14H23NO10
  • Average mass365.333 Da
  • Monoisotopic mass365.132202 Da
  • ChemSpider ID68026137

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

Acide (5ξ,6R)-5-acétamido-6-[(1R,2R)-3-acétoxy-1,2-dihydroxypropyl]-3,5-didésoxy-β-D-glycéro-hex-2-ulopyranosidonique de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-β-D-glycero-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
Methyl-(5ξ,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-didesoxy-β-D-glycero-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
β-D-gluco-2-Nonulopyranosidonic acid, methyl 5-(acetylamino)-3,5-dideoxy-, 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: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 251.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement