ChemSpider 2D Image | 4-({2-[(2-Acetamido-2-deoxy-beta-D-galactopyranosyl)oxy]ethyl}amino)-4-oxobutanoic acid | C14H24N2O9

4-({2-[(2-Acetamido-2-deoxy-β-D-galactopyranosyl)oxy]ethyl}amino)-4-oxobutanoic acid

  • Molecular FormulaC14H24N2O9
  • Average mass364.348 Da
  • Monoisotopic mass364.148193 Da
  • ChemSpider ID32741454

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-({2-[(2-Acetamido-2-deoxy-β-D-galactopyranosyl)oxy]ethyl}amino)-4-oxobutanoic acid [ACD/IUPAC Name]
4-({2-[(2-Acetamido-2-desoxy-β-D-galactopyranosyl)oxy]ethyl}amino)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-({2-[(2-acétamido-2-désoxy-β-D-galactopyranosyl)oxy]éthyl}amino)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]ethyl]amino]-4-oxo- [ACD/Index Name]
540534-65-4 [RN]
Butanoic acid, 4-[[2-[[2-(acetylamino)-2-deoxy-ß-D-galactopyranosyl]oxy]ethyl]amino]-4-oxo- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 442.0±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.01
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 252.1±5.0 cm3

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