ChemSpider 2D Image | hongencaotone | C40H50O5

hongencaotone

  • Molecular FormulaC40H50O5
  • Average mass610.822 Da
  • Monoisotopic mass610.365845 Da
  • ChemSpider ID8501864

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(9aS,13aS,18aR,19cR)-14-Hydroxy-8,16-diisopropyl-4,4,10,10,13a,19c-hexamethyl-1,3,4,11,12,13,13a,19c-octahydro-10H-dibenzo[g,i]naphtho[1,2-a]oxanthren-6,15(2H,18aH)-dion [German] [ACD/IUPAC Name]
(9aS,13aS,18aR,19cR)-14-Hydroxy-8,16-diisopropyl-4,4,10,10,13a,19c-hexamethyl-1,3,4,11,12,13,13a,19c-octahydro-10H-dibenzo[g,i]naphtho[1,2-a]oxanthrene-6,15(2H,18aH)-dione [ACD/IUPAC Name]
(9aS,13aS,18aR,19cR)-14-Hydroxy-8,16-diisopropyl-4,4,10,10,13a,19c-hexaméthyl-1,3,4,11,12,13,13a,19c-octahydro-10H-dibenzo[g,i]naphto[1,2-a]oxanthrène-6,15(2H,18aH)-dione [French] [ACD/IUPAC Name]
10H-Diphenanthro[8a,9-b:4',3'-e][1,4]dioxin-6,15(2H,18aH)-dione, 1,3,4,11,12,13,13a,19c-octahydro-14-hydroxy-4,4,10,10,13a,19c-hexamethyl-8,16-bis(1-methylethyl)-, (9aS,13aS,18aR,19cR)- [ACD/Index Name]
hongencaotone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508942/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 768.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 235.6±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 10.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8046857.00
ACD/LogD (pH 7.4): 10.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7675599.00
Polar Surface Area: 73 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 506.5±5.0 cm3

Click to predict properties on the Chemicalize site


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