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

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

  • Molecular FormulaC41H72O9
  • Average mass709.005 Da
  • Monoisotopic mass708.517639 Da
  • ChemSpider ID2727099

More details:

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

16-Docosenoic acid, 19,21-dihydroxy-4,6,8,12,14,18,20-heptamethyl-22-[octahydro-5'-(1-hydroxyethyl)-2,5'-dimethyl[2,2'-bifuran]-5-yl]-9,11-dioxo- [ACD/Index Name]
19,21-Dihydroxy-22-[5'-(1-hydroxyethyl)-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptamethyl-9,11-dioxo-16-docosenoic acid [ACD/IUPAC Name]
19,21-Dihydroxy-22-[5'-(1-hydroxyethyl)-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptamethyl-9,11-dioxo-16-docosensäure [German] [ACD/IUPAC Name]
Acide 19,21-dihydroxy-22-[5'-(1-hydroxyéthyl)-2,5'-diméthyloctahydro-2,2'-bifuran-5-yl]-4,6,8,12,14,18,20-heptaméthyl-9,11-dioxo-16-docosénoïque [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: 806.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 231.5±27.8 °C
Index of Refraction: 1.502
Molar Refractivity: 196.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 4708.28
ACD/KOC (pH 5.5): 8753.80
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 75.27
ACD/KOC (pH 7.4): 139.95
Polar Surface Area: 151 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 667.3±3.0 cm3

Click to predict properties on the Chemicalize site


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