ChemSpider 2D Image | (−)-penifulvin A | C15H20O4

(−)-penifulvin A

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID21199882

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(−)-penifulvin A [Wiki]
(2aR,6aR,9aS,9bS)-5,5,6a-Trimethyloctahydro-1,9-dioxapentaleno[1,6-cd]inden-2,8-dion [German] [ACD/IUPAC Name]
(2aR,6aR,9aS,9bS)-5,5,6a-Trimethyloctahydro-1,9-dioxapentaleno[1,6-cd]indene-2,8-dione [ACD/IUPAC Name]
(2aR,6aR,9aS,9bS)-5,5,6a-Triméthyloctahydro-1,9-dioxapentaléno[1,6-cd]indène-2,8-dione [French] [ACD/IUPAC Name]
9aH-1,9-Dioxapentaleno[1,6-cd]indene-2,8-dione, octahydro-5,5,6a-trimethyl-, (2aR,6aR,9aS,9bS)- [ACD/Index Name]
penifulvin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469405/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 236.7±22.4 °C
Index of Refraction: 1.550
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.40
ACD/KOC (pH 5.5): 131.43
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.40
ACD/KOC (pH 7.4): 131.43
Polar Surface Area: 53 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 210.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement