ChemSpider 2D Image | (2S,3R,4S,6R)-2-{[(1S,2R,3R,6R,8R,9R,10R,16R,18R)-2,3-Diethyl-2-hydroxy-6,8,10,16,18-pentamethyl-13-methylene-5,7,17-trioxo-4,11,15-trioxabicyclo[8.5.4]nonadec-9-yl]oxy}-4-(dimethylamino)-6-methyltetr ahydro-2H-pyran-3-yl acetate | C36H59NO11

(2S,3R,4S,6R)-2-{[(1S,2R,3R,6R,8R,9R,10R,16R,18R)-2,3-Diethyl-2-hydroxy-6,8,10,16,18-pentamethyl-13-methylene-5,7,17-trioxo-4,11,15-trioxabicyclo[8.5.4]nonadec-9-yl]oxy}-4-(dimethylamino)-6-methyltetr ahydro-2H-pyran-3-yl acetate

  • Molecular FormulaC36H59NO11
  • Average mass681.854 Da
  • Monoisotopic mass681.408813 Da
  • ChemSpider ID9810877

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,3R,4S,6R)-2-{[(1S,2R,3R,6R,8R,9R,10R,16R,18R)-2,3-Diethyl-2-hydroxy-6,8,10,16,18-pentamethyl-13-methylen-5,7,17-trioxo-4,11,15-trioxabicyclo[8.5.4]nonadec-9-yl]oxy}-4-(dimethylamino)-6-methyltetra hydro-2H-pyran-3-yl-acetat [German] [ACD/IUPAC Name]
(2S,3R,4S,6R)-2-{[(1S,2R,3R,6R,8R,9R,10R,16R,18R)-2,3-Diethyl-2-hydroxy-6,8,10,16,18-pentamethyl-13-methylene-5,7,17-trioxo-4,11,15-trioxabicyclo[8.5.4]nonadec-9-yl]oxy}-4-(dimethylamino)-6-methyltetr ahydro-2H-pyran-3-yl acetate [ACD/IUPAC Name]
Acétate de (2S,3R,4S,6R)-2-{[(1S,2R,3R,6R,8R,9R,10R,16R,18R)-2,3-diéthyl-2-hydroxy-6,8,10,16,18-pentaméthyl-13-méthylène-5,7,17-trioxo-4,11,15-trioxabicyclo[8.5.4]nonadéc-9-yl]oxy}-4-(diméthylamino)-6 -méthyltétrahydro-2H-pyran-3-yle [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: 763.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.518
Molar Refractivity: 178.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 23.35
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 219.43
ACD/KOC (pH 7.4): 1153.72
Polar Surface Area: 147 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 588.2±5.0 cm3

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