ChemSpider 2D Image | (1R,4R,5R,9R,10R,12S,13R,17R)-19-Isopropyl-5,9-dimethyl-14,16-dioxo-15-oxapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid | C24H32O5

(1R,4R,5R,9R,10R,12S,13R,17R)-19-Isopropyl-5,9-dimethyl-14,16-dioxo-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid

  • Molecular FormulaC24H32O5
  • Average mass400.508 Da
  • Monoisotopic mass400.224976 Da
  • ChemSpider ID31133568

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4R,5R,9R,10R,12S,13R,17R)-19-Isopropyl-5,9-dimethyl-14,16-dioxo-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-en-5-carbonsäure [German] [ACD/IUPAC Name]
(1R,4R,5R,9R,10R,12S,13R,17R)-19-Isopropyl-5,9-dimethyl-14,16-dioxo-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid [ACD/IUPAC Name]
1H-3b,11-Ethenophenanthro[1,2-c]furan-6-carboxylic acid, 3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-, (3aR,3bR,5aR,6R,9aR,9bR,11S,11aR)- [ACD/Index Name]
Acide (1R,4R,5R,9R,10R,12S,13R,17R)-19-isopropyl-5,9-diméthyl-14,16-dioxo-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadéc-18-ène-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 192.4±23.6 °C
Index of Refraction: 1.577
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 163.76
ACD/KOC (pH 5.5): 750.61
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 11.85
Polar Surface Area: 81 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 320.5±5.0 cm3

Click to predict properties on the Chemicalize site


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