ChemSpider 2D Image | 4-O-(2-Amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-2-{[3-(tetradecanoyloxy)tetradecanoyl]amino}-D-glucopyranose | C40H76N2O12

4-O-(2-Amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-2-{[3-(tetradecanoyloxy)tetradecanoyl]amino}-D-glucopyranose

  • Molecular FormulaC40H76N2O12
  • Average mass777.038 Da
  • Monoisotopic mass776.539856 Da
  • ChemSpider ID9940435

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

4-O-(2-Amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-2-{[3-(tetradecanoyloxy)tetradecanoyl]amino}-D-glucopyranose [ACD/IUPAC Name]
4-O-(2-Amino-2-desoxy-β-D-glucopyranosyl)-2-desoxy-2-{[3-(tetradecanoyloxy)tetradecanoyl]amino}-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(2-Amino-2-désoxy-β-D-glucopyranosyl)-2-désoxy-2-{[3-(tetradecanoyloxy)tetradecanoyl]amino}-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-2-[[1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 921.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.1±6.0 kJ/mol
Flash Point: 511.0±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 206.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 6021.26
ACD/KOC (pH 5.5): 3216.53
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 289467.19
ACD/KOC (pH 7.4): 154632.08
Polar Surface Area: 230 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 660.2±5.0 cm3

Click to predict properties on the Chemicalize site


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