ChemSpider 2D Image | 9-{[4-(Dimethylamino)-6-methyl-3-phenoxytetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,10-dihydroxy-7-[(4-methoxy-4,6-dimethyl-5-phenoxytetrahydro-2H-pyran-2-yl)oxy]-2,6,8,10,12,15,15,17-octamethyl-4,14,16-t rioxabicyclo[11.3.1]heptadecan-5-one | C52H81NO13

9-{[4-(Dimethylamino)-6-methyl-3-phenoxytetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,10-dihydroxy-7-[(4-methoxy-4,6-dimethyl-5-phenoxytetrahydro-2H-pyran-2-yl)oxy]-2,6,8,10,12,15,15,17-octamethyl-4,14,16-t rioxabicyclo[11.3.1]heptadecan-5-one

  • Molecular FormulaC52H81NO13
  • Average mass928.198 Da
  • Monoisotopic mass927.570801 Da
  • ChemSpider ID2514006

More details:

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

9-{[4-(Dimethylamino)-6-methyl-3-phenoxytetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,10-dihydroxy-7-[(4-methoxy-4,6-dimethyl-5-phenoxytetrahydro-2H-pyran-2-yl)oxy]-2,6,8,10,12,15,15,17-octamethyl-4,14,16-t rioxabicyclo[11.3.1]heptadecan-5-on [German] [ACD/IUPAC Name]
9-{[4-(Dimethylamino)-6-methyl-3-phenoxytetrahydro-2H-pyran-2-yl]oxy}-3-ethyl-2,10-dihydroxy-7-[(4-methoxy-4,6-dimethyl-5-phenoxytetrahydro-2H-pyran-2-yl)oxy]-2,6,8,10,12,15,15,17-octamethyl-4,14,16-t rioxabicyclo[11.3.1]heptadecan-5-one [ACD/IUPAC Name]
9-{[4-(Diméthylamino)-6-méthyl-3-phénoxytétrahydro-2H-pyran-2-yl]oxy}-3-éthyl-2,10-dihydroxy-7-[(4-méthoxy-4,6-diméthyl-5-phénoxytétrahydro-2H-pyran-2-yl)oxy]-2,6,8,10,12,15,15,17-octaméthyl-4,14,16-t rioxabicyclo[11.3.1]heptadécan-5-one [French] [ACD/IUPAC 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: 901.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 499.1±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 252.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 1845.69
ACD/KOC (pH 5.5): 1752.97
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 91100.91
ACD/KOC (pH 7.4): 86524.11
Polar Surface Area: 153 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 788.0±5.0 cm3

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