ChemSpider 2D Image | Methyl (2S)-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate | C24H24O7

Methyl (2S)-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate

  • Molecular FormulaC24H24O7
  • Average mass424.443 Da
  • Monoisotopic mass424.152191 Da
  • ChemSpider ID26349728

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Hydroxy-2-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzyl]-3-(4-hydroxyphényl)-5-oxo-2,5-dihydro-2-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Furancarboxylic acid, 2,5-dihydro-4-hydroxy-2-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Methyl-(2S)-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
butyrolactone I
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1242973/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 227.6±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.51
ACD/KOC (pH 5.5): 1916.40
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 257.28
ACD/KOC (pH 7.4): 1822.68
Polar Surface Area: 113 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 313.7±3.0 cm3

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