ChemSpider 2D Image | 6-{[6-{[4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-di methyltetrahydro-2H-pyran-3-yl 3-methylbutanoate | C45H73NO16

6-{[6-{[4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-di methyltetrahydro-2H-pyran-3-yl 3-methylbutanoate

  • Molecular FormulaC45H73NO16
  • Average mass884.058 Da
  • Monoisotopic mass883.492920 Da
  • ChemSpider ID3673

More details:

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

3-Méthylbutanoate de 6-{[6-{[4-acétoxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)-10-(propionyloxy)oxacyclohexadéca-11,13-dién-6-yl]oxy}-4-(diméthylamino)-5-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl] oxy}-4-hydroxy-2,4-diméthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
6-{[6-{[4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-di methyltetrahydro-2H-pyran-3-yl 3-methylbutanoate [ACD/IUPAC Name]
6-{[6-{[4-Acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-di methyltetrahydro-2H-pyran-3-yl-3-methylbutanoat [German] [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: 887.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 490.3±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 227.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 17.85
ACD/KOC (pH 5.5): 85.01
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 609.20
ACD/KOC (pH 7.4): 2901.08
Polar Surface Area: 212 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 737.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement