ChemSpider 2D Image | N-[3',6'-Bis(beta-L-galactopyranosyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]dodecanamide | C44H55NO16

N-[3',6'-Bis(β-L-galactopyranosyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]dodecanamide

  • Molecular FormulaC44H55NO16
  • Average mass853.905 Da
  • Monoisotopic mass853.352112 Da
  • ChemSpider ID68024901

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Dodecanamide, N-[3',6'-bis(β-L-galactopyranosyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]- [ACD/Index Name]
N-[3',6'-Bis(β-L-galactopyranosyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]dodecanamid [German] [ACD/IUPAC Name]
N-[3',6'-Bis(β-L-galactopyranosyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]dodecanamide [ACD/IUPAC Name]
N-[3',6'-Bis(β-L-galactopyranosyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]dodécanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1076.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.3±3.0 kJ/mol
Flash Point: 604.5±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 214.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.80
ACD/KOC (pH 5.5): 1715.03
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.79
ACD/KOC (pH 7.4): 1715.00
Polar Surface Area: 263 Å2
Polarizability: 85.1±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 571.7±5.0 cm3

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