ChemSpider 2D Image | Ethyl 3-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C23H28O8

Ethyl 3-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID27324236

More details:






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

3-[4-(Cyclopentyloxy)-3-méthoxyphényl]-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-[4-(cyclopentyloxy)-3-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1324084-91-4 [RN]
C23H28O8
ethyl 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
ETHYL 3-[4-(CYCLOPENTYLOXY)-3-METHOXYPHENYL]-3-[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL]PROPANOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±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: 220.3±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.65
ACD/KOC (pH 5.5): 617.42
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 44.07
ACD/KOC (pH 7.4): 489.03
Polar Surface Area: 112 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

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