ChemSpider 2D Image | 6-{[6-{[7-Acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-d imethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate | C42H67NO16

6-{[6-{[7-Acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-d imethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate

  • Molecular FormulaC42H67NO16
  • Average mass841.979 Da
  • Monoisotopic mass841.445984 Da
  • ChemSpider ID402913

More details:

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

3-Méthylbutanoate de 6-{[6-{[7-acétoxy-8-méthoxy-3,12-diméthyl-5,13-dioxo-10-(2-oxoéthyl)-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-9-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-{[7-Acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-d imethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate [ACD/IUPAC Name]
6-{[6-{[7-Acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-d imethyltetrahydro-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: 892.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.3±6.0 kJ/mol
Flash Point: 493.4±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 211.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.07
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 18.74
ACD/KOC (pH 7.4): 240.24
Polar Surface Area: 215 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 678.4±5.0 cm3

Click to predict properties on the Chemicalize site


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