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Search term: 78443453 (Found by CSID)
ChemSpider 2D Image | Methyl (2R)-2-{3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxybenzyl}-4-ethoxy-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate | C26H30O9

Methyl (2R)-2-{3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxybenzyl}-4-ethoxy-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate

  • Molecular FormulaC26H30O9
  • Average mass486.511 Da
  • Monoisotopic mass486.188995 Da
  • ChemSpider ID78443453

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-{3-[(2S)-2,3-Dihydroxy-3-méthylbutyl]-4-hydroxybenzyl}-4-éthoxy-3-(4-hydroxyphényl)-5-oxo-2,5-dihydro-2-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Furancarboxylic acid, 2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-4-ethoxy-2,5-dihydro-3-(4-hydroxyphenyl)-5-oxo-, methyl ester, (2R)- [ACD/Index Name]
Methyl (2R)-2-{3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxybenzyl}-4-ethoxy-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Methyl-(2R)-2-{3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxybenzyl}-4-ethoxy-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
aspernolide G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 251.5±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.02
ACD/KOC (pH 5.5): 338.68
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.91
ACD/KOC (pH 7.4): 337.15
Polar Surface Area: 143 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 353.6±5.0 cm3

Click to predict properties on the Chemicalize site


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