ChemSpider 2D Image | (5S)-5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)-3-decanone | C17H26O4

(5S)-5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)-3-decanone

  • Molecular FormulaC17H26O4
  • Average mass294.386 Da
  • Monoisotopic mass294.183105 Da
  • ChemSpider ID23327068

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)-3-decanon [German] [ACD/IUPAC Name]
(5S)-5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)-3-decanone [ACD/IUPAC Name]
(5S)-5-Hydroxy-1-(3-hydroxy-4-méthoxyphényl)-3-décanone [French] [ACD/IUPAC Name]
3-Decanone, 5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-, (5S)- [ACD/Index Name]
(5S)-5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
(S)-6-gingerol
CHEMBL471072
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL471072/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 159.7±19.4 °C
Index of Refraction: 1.523
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.41
ACD/KOC (pH 5.5): 881.63
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.15
ACD/KOC (pH 7.4): 879.10
Polar Surface Area: 67 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 271.7±3.0 cm3

Click to predict properties on the Chemicalize site


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