ChemSpider 2D Image | (1S,3S,6R,10R,12S,13S,16R,19S)-3,10,12,16-Tetramethyl-14-methylene-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.0~1,6~.0~16,19~]icos-4-ene-4-carboxylic acid | C24H32O6

(1S,3S,6R,10R,12S,13S,16R,19S)-3,10,12,16-Tetramethyl-14-methylene-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.01,6.016,19]icos-4-ene-4-carboxylic acid

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID59701674

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3S,6R,10R,12S,13S,16R,19S)-3,10,12,16-Tetramethyl-14-methylen-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.01,6.016,19]icos-4-en-4-carbonsäure [German] [ACD/IUPAC Name]
(1S,3S,6R,10R,12S,13S,16R,19S)-3,10,12,16-Tetramethyl-14-methylene-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.01,6.016,19]icos-4-ene-4-carboxylic acid [ACD/IUPAC Name]
1,14-Ethano-2H-furo[2,3-o][2]benzoxacycloundecin-6-carboxylic acid, 1,4,5,7a,8,9,10,11,12,13,14,15a-dodecahydro-1,5,11,13-tetramethyl-16-methylene-2,17-dioxo-, (1R,3aS,5S,7aR,11R,13S,14S,15aS)- [ACD/Index Name]
Acide (1S,3S,6R,10R,12S,13S,16R,19S)-3,10,12,16-tétraméthyl-14-méthylène-15,17-dioxo-18,20-dioxatétracyclo[11.5.2.01,6.016,19]icos-4-ène-4-carboxylique [French] [ACD/IUPAC Name]
Okilactomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 210.6±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 179.71
ACD/KOC (pH 5.5): 765.21
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 12.03
Polar Surface Area: 90 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 340.1±5.0 cm3

Click to predict properties on the Chemicalize site


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