ChemSpider 2D Image | Methyl (2R,5R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxy-1-propen-2-yl)tetrahydro-2-furancarboxylate | C17H20O7

Methyl (2R,5R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxy-1-propen-2-yl)tetrahydro-2-furancarboxylate

  • Molecular FormulaC17H20O7
  • Average mass336.336 Da
  • Monoisotopic mass336.120911 Da
  • ChemSpider ID78441534

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5R)-2-[2-(2,5-Dihydroxyphényl)-2-oxoéthyl]-5-(3-hydroxy-1-propén-2-yl)tétrahydro-2-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Furancarboxylic acid, 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]tetrahydro-5-[1-(hydroxymethyl)ethenyl]-, methyl ester, (2R,5R)- [ACD/Index Name]
Methyl (2R,5R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxy-1-propen-2-yl)tetrahydro-2-furancarboxylate [ACD/IUPAC Name]
Methyl-(2R,5R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxy-1-propen-2-yl)tetrahydro-2-furancarboxylat [German] [ACD/IUPAC Name]
(-)-applanatumol P

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 194.3±23.6 °C
Index of Refraction: 1.578
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.37
ACD/KOC (pH 5.5): 234.39
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.43
ACD/KOC (pH 7.4): 219.08
Polar Surface Area: 113 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

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