ChemSpider 2D Image | ionostatin | C41H72O9

ionostatin

  • Molecular FormulaC41H72O9
  • Average mass709.005 Da
  • Monoisotopic mass708.517639 Da
  • ChemSpider ID92172169

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S,4S,6R,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-Trihydroxy-22-{(2S,2'S,5S,5'R)-5'-[(1R)-1-hydroxyethyl]-2-methyloctahydro-2,2'-bifuran-5-yl}-2,4,6,8,12,14,18,20-octamethyl-9-oxo-10,16-docosadie noic acid [ACD/IUPAC Name]
(2S,4S,6R,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-Trihydroxy-22-{(2S,2'S,5S,5'R)-5'-[(1R)-1-hydroxyethyl]-2-methyloctahydro-2,2'-bifuran-5-yl}-2,4,6,8,12,14,18,20-octamethyl-9-oxo-10,16-docosadie nsäure [German] [ACD/IUPAC Name]
10,16-Docosadienoic acid, 11,19,21-trihydroxy-2,4,6,8,12,14,18,20-octamethyl-22-[(2S,2'S,5S,5'R)-octahydro-5'-[(1R)-1-hydroxyethyl]-2-methyl[2,2'-bifuran]-5-yl]-9-oxo-, (2S,4S,6R,8S,10Z,12R,14R,16E,18 R,19R,20S,21S)- [ACD/Index Name]
Acide (2S,4S,6R,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-{(2S,2'S,5S,5'R)-5'-[(1R)-1-hydroxyéthyl]-2-méthyloctahydro-2,2'-bifuran-5-yl}-2,4,6,8,12,14,18,20-octaméthyl-9-oxo-10,16-doc osadiénoïque [French] [ACD/IUPAC Name]
ionostatin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 820.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.8±6.0 kJ/mol
Flash Point: 236.5±27.8 °C
Index of Refraction: 1.513
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: 5.99
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 2320.92
ACD/KOC (pH 5.5): 5387.27
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 35.77
ACD/KOC (pH 7.4): 83.03
Polar Surface Area: 154 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 659.5±3.0 cm3

Click to predict properties on the Chemicalize site


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