ChemSpider 2D Image | 11,19,21-Trihydroxy-22-[5'-(1-hydroxyethyl)-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxo-10,16-docosadienoic acid | C41H72O9

11,19,21-Trihydroxy-22-[5'-(1-hydroxyethyl)-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxo-10,16-docosadienoic acid

  • Molecular FormulaC41H72O9
  • Average mass709.005 Da
  • Monoisotopic mass708.517639 Da
  • ChemSpider ID3602

More details:

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

10,16-Docosadienoic acid, 11,19,21-trihydroxy-4,6,8,12,14,18,20-heptamethyl-22-[octahydro-5'-(1-hydroxyethyl)-2,5'-dimethyl[2,2'-bifuran]-5-yl]-9-oxo- [ACD/Index Name]
11,19,21-Trihydroxy-22-[5'-(1-hydroxyethyl)-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxo-10,16-docosadienoic acid [ACD/IUPAC Name]
11,19,21-Trihydroxy-22-[5'-(1-hydroxyethyl)-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxo-10,16-docosadiensäure [German] [ACD/IUPAC Name]
Acide 11,19,21-trihydroxy-22-[5'-(1-hydroxyéthyl)-2,5'-diméthyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptaméthyl-9-oxo-10,16-docosadiénoïque [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: 817.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.2±6.0 kJ/mol
Flash Point: 235.2±27.8 °C
Index of Refraction: 1.512
Molar Refractivity: 198.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 3097.03
ACD/KOC (pH 5.5): 6486.55
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 47.34
ACD/KOC (pH 7.4): 99.15
Polar Surface Area: 154 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 661.1±3.0 cm3

Click to predict properties on the Chemicalize site


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