ChemSpider 2D Image | ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC | C25H30N2O9

ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC

  • Molecular FormulaC25H30N2O9
  • Average mass502.514 Da
  • Monoisotopic mass502.195129 Da
  • ChemSpider ID7981830

  • defined stereocentres - 6 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-[(4-biphénylylcarbonyl)amino]-1,2-dihydroxypropyl}-3,5-didésoxy-β-L-thréo-hex-2-ulopyranosidonique de méthyle [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-2-Nonulopyranosidonic acid, methyl 5-(acetylamino)-9-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-3,5,9-trideoxy- [ACD/Index Name]
ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC
Methyl (6R)-5-acetamido-6-{(1R,2R)-3-[(4-biphenylylcarbonyl)amino]-1,2-dihydroxypropyl}-3,5-dideoxy-β-L-threo-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
Methyl-(6R)-5-acetamido-6-{(1R,2R)-3-[(4-biphenylylcarbonyl)amino]-1,2-dihydroxypropyl}-3,5-didesoxy-β-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: 901.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 499.3±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 353.1±5.0 cm3

Click to predict properties on the Chemicalize site


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