ChemSpider 2D Image | (2S,3R,4R,7R,8S,9S,10R,11R)-4-Ethyl-10-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-2-[(1S)-1-fluoroethyl]-8-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H- pyran-2-yl]oxy}-3,7,9,11,13-pentamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1(13)-en-6-one | C38H66FNO9

(2S,3R,4R,7R,8S,9S,10R,11R)-4-Ethyl-10-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-2-[(1S)-1-fluoroethyl]-8-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H- pyran-2-yl]oxy}-3,7,9,11,13-pentamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1(13)-en-6-one

  • Molecular FormulaC38H66FNO9
  • Average mass699.930 Da
  • Monoisotopic mass699.472168 Da
  • ChemSpider ID8072094

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,3R,4R,7R,8S,9S,10R,11R)-4-Ethyl-10-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-2-[(1S)-1-fluorethyl]-8-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-p yran-2-yl]oxy}-3,7,9,11,13-pentamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1(13)-en-6-on [German] [ACD/IUPAC Name]
(2S,3R,4R,7R,8S,9S,10R,11R)-4-Ethyl-10-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-2-[(1S)-1-fluoroethyl]-8-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H- pyran-2-yl]oxy}-3,7,9,11,13-pentamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1(13)-en-6-one [ACD/IUPAC Name]
(2S,3R,4R,7R,8S,9S,10R,11R)-4-Éthyl-10-({(2S,3R,4S,6R)-4-[éthyl(méthyl)amino]-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-2-[(1S)-1-fluoroéthyl]-8-{[(2S,4S,6S)-4-méthoxy-4,6-diméthyltétrahydro-2H- pyran-2-yl]oxy}-3,7,9,11,13-pentaméthyl-5,14-dioxabicyclo[9.2.1]tétradéc-1(13)-én-6-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 64.01
ACD/KOC (pH 5.5): 130.63
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 3197.62
ACD/KOC (pH 7.4): 6525.93
Polar Surface Area: 105 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 621.8±5.0 cm3

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