ChemSpider 2D Image | Methyl (2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.1~7,10~.0~2,4~]hexadeca-1(15),7,9-triene-8-carboxylate | C21H22O6

Methyl (2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID29212394

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,4R,5R,11R,12S)-5,11-Diisopropényl-14-oxo-3,13,16-trioxatétracyclo[10.2.1.17,10.02,4]hexadéca-1(15),7,9-triène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
3,13,16-Trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylic acid, 5,11-bis(1-methylethenyl)-14-oxo-, methyl ester, (2S,4R,5R,11R,12S)- [ACD/Index Name]
Methyl (2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-trien-8-carboxylat [German] [ACD/IUPAC Name]
pseduopterolide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.8±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.05
ACD/KOC (pH 5.5): 1363.26
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.05
ACD/KOC (pH 7.4): 1363.26
Polar Surface Area: 78 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 291.7±5.0 cm3

Click to predict properties on the Chemicalize site


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