ChemSpider 2D Image | (4S,5S)-4-Hydroxy-2-(hydroxymethyl)-5-[(2S)-2-hydroxy-6-methyl-5-hepten-2-yl]-2-cyclohexen-1-one | C15H24O4

(4S,5S)-4-Hydroxy-2-(hydroxymethyl)-5-[(2S)-2-hydroxy-6-methyl-5-hepten-2-yl]-2-cyclohexen-1-one

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID26608497

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4S,5S)-4-Hydroxy-2-(hydroxymethyl)-5-[(2S)-2-hydroxy-6-methyl-5-hepten-2-yl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4S,5S)-4-Hydroxy-2-(hydroxymethyl)-5-[(2S)-2-hydroxy-6-methyl-5-hepten-2-yl]-2-cyclohexen-1-one [ACD/IUPAC Name]
(4S,5S)-4-Hydroxy-2-(hydroxyméthyl)-5-[(2S)-2-hydroxy-6-méthyl-5-heptén-2-yl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-hydroxy-5-[(1S)-1-hydroxy-1,5-dimethyl-4-hexen-1-yl]-2-(hydroxymethyl)-, (4S,5S)- [ACD/Index Name]
ANTHEMINONE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400418/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 252.1±25.2 °C
Index of Refraction: 1.542
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.50
ACD/KOC (pH 5.5): 147.29
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.50
ACD/KOC (pH 7.4): 147.29
Polar Surface Area: 78 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 233.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement