ChemSpider 2D Image | 8,16-Bis(4-{4-[(4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}-3-hydroxy-2-pentanyl)-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2, 10-dione | C54H88O18

8,16-Bis(4-{4-[(4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}-3-hydroxy-2-pentanyl)-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2, 10-dione

  • Molecular FormulaC54H88O18
  • Average mass1025.266 Da
  • Monoisotopic mass1024.597046 Da
  • ChemSpider ID4418789

More details:

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

8,16-Bis(4-{4-[(4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}-3-hydroxy-2-pentanyl)-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraen-2,1 0-dion [German] [ACD/IUPAC Name]
8,16-Bis(4-{4-[(4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}-3-hydroxy-2-pentanyl)-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2, 10-dione [ACD/IUPAC Name]
8,16-Bis(4-{4-[(4,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl)oxy]-5-éthyl-2-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}-3-hydroxy-2-pentanyl)-7,15-diméthyl-1,9-dioxacyclohexadéca-3,5,11,13-tétraène-2, 10-dione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1080.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.3±6.0 kJ/mol
Flash Point: 295.8±27.8 °C
Index of Refraction: 1.569
Molar Refractivity: 267.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.51
ACD/KOC (pH 5.5): 501.08
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.51
ACD/KOC (pH 7.4): 501.07
Polar Surface Area: 270 Å2
Polarizability: 106.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 816.2±5.0 cm3

Click to predict properties on the Chemicalize site


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