ChemSpider 2D Image | N-[(1R)-1-(3,4-Dimethoxyphenyl)-2-ethyl-2-(methoxycarbonyl)butyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-N-ethyl-beta-D-galactopyranosylamine | C44H71NO13

N-[(1R)-1-(3,4-Dimethoxyphenyl)-2-ethyl-2-(methoxycarbonyl)butyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-N-ethyl-β-D-galactopyranosylamine

  • Molecular FormulaC44H71NO13
  • Average mass822.033 Da
  • Monoisotopic mass821.492554 Da
  • ChemSpider ID9279954

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-[(1R)-1-(3,4-Dimethoxyphenyl)-2-ethyl-2-(methoxycarbonyl)butyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-N-ethyl-β-D-galactopyranosylamin [German] [ACD/IUPAC Name]
N-[(1R)-1-(3,4-Dimethoxyphenyl)-2-ethyl-2-(methoxycarbonyl)butyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-N-ethyl-β-D-galactopyranosylamine [ACD/IUPAC Name]
N-[(1R)-1-(3,4-Diméthoxyphényl)-2-éthyl-2-(méthoxycarbonyl)butyl]-2,3,4,6-tétrakis-O-(2,2-diméthylpropanoyl)-N-éthyl-β-D-galactopyranosylamine [French] [ACD/IUPAC Name]
β-D-Galactopyranosylamine, N-[(1R)-1-(3,4-dimethoxyphenyl)-2-ethyl-2-(methoxycarbonyl)butyl]-N-ethyl-, 2,3,4,6-tetrakis(2,2-dimethylpropanoate) [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 219.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4228876.50
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4239685.50
Polar Surface Area: 162 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 729.0±5.0 cm3

Click to predict properties on the Chemicalize site


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