ChemSpider 2D Image | Methyl (2R)-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate | C25H26O7

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

  • Molecular FormulaC25H26O7
  • Average mass438.470 Da
  • Monoisotopic mass438.167847 Da
  • ChemSpider ID40256557

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[4-Hydroxy-3-(3-méthyl-2-butén-1-yl)benzyl]-3-(4-hydroxyphényl)-4-méthoxy-5-oxo-2,5-dihydro-2-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Furancarboxylic acid, 2,5-dihydro-2-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxo-, methyl ester, (2R)- [ACD/Index Name]
Methyl (2R)-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Methyl-(2R)-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 222.4±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 624.73
ACD/KOC (pH 5.5): 3489.41
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 622.65
ACD/KOC (pH 7.4): 3477.79
Polar Surface Area: 102 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


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