ChemSpider 2D Image | 6-{[6-{[4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy)
tetrahydro-2H-pyran-3-yl butyrate | C42H69NO15

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

  • Molecular FormulaC42H69NO15
  • Average mass827.995 Da
  • Monoisotopic mass827.466736 Da
  • ChemSpider ID4912

More details:






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

6-{[6-{[4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy) tetrahydro-2H-pyran-3-yl butyrate [ACD/IUPAC Name]
6-{[6-{[4,10-Dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-2,4-dimethyl-4-(propionyloxy) tetrahydro-2H-pyran-3-ylbutyrat [German] [ACD/IUPAC Name]
Butyrate de 6-{[6-{[4,10-dihydroxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yl]oxy}-4-(diméthylamino)-5-hydroxy-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-2,4-diméthyl-4-(p ropionyloxy)tétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 879.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.6±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 213.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 23.15
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 98.99
ACD/KOC (pH 7.4): 790.12
Polar Surface Area: 206 Å2
Polarizability: 84.4±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 683.9±5.0 cm3

Click to predict properties on the Chemicalize site






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