ChemSpider 2D Image | Methyl (6R)-5-acetamido-6-[(1R,2R)-3-(benzoylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosidonic acid | C19H26N2O9

Methyl (6R)-5-acetamido-6-[(1R,2R)-3-(benzoylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosidonic acid

  • Molecular FormulaC19H26N2O9
  • Average mass426.418 Da
  • Monoisotopic mass426.163818 Da
  • ChemSpider ID76714392

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

Acide (6R)-5-acétamido-6-[(1R,2R)-3-(benzoylamino)-1,2-dihydroxypropyl]-3,5-didésoxy-L-thréo-hex-2-ulopyranosidonique de méthyle [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulopyranosidonic acid, methyl 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy- [ACD/Index Name]
Methyl (6R)-5-acetamido-6-[(1R,2R)-3-(benzoylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
Methyl-(6R)-5-acetamido-6-[(1R,2R)-3-(benzoylamino)-1,2-dihydroxypropyl]-3,5-didesoxy-L-threo-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 468.8±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 295.1±5.0 cm3

Click to predict properties on the Chemicalize site


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