ChemSpider 2D Image | Ethyl 2-hydroxy-5-{4-hydroxy-3-[(2-isopropylphenyl)sulfanyl]-2-oxo-2H-pyran-6-yl}benzoate | C23H22O6S

Ethyl 2-hydroxy-5-{4-hydroxy-3-[(2-isopropylphenyl)sulfanyl]-2-oxo-2H-pyran-6-yl}benzoate

  • Molecular FormulaC23H22O6S
  • Average mass426.482 Da
  • Monoisotopic mass426.113708 Da
  • ChemSpider ID23112231

More details:

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

2-Hydroxy-5-{4-hydroxy-3-[(2-isopropylphényl)sulfanyl]-2-oxo-2H-pyran-6-yl}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-5-[4-hydroxy-3-[[2-(1-methylethyl)phenyl]thio]-2-oxo-2H-pyran-6-yl]-, ethyl ester [ACD/Index Name]
Ethyl 2-hydroxy-5-{4-hydroxy-3-[(2-isopropylphenyl)sulfanyl]-2-oxo-2H-pyran-6-yl}benzoate [ACD/IUPAC Name]
Ethyl-2-hydroxy-5-{4-hydroxy-3-[(2-isopropylphenyl)sulfanyl]-2-oxo-2H-pyran-6-yl}benzoat [German] [ACD/IUPAC Name]
2-Hydroxy-5-[4-hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-6H-pyran-2-yl]-benzoic acid ethyl ester
ethyl 2-hydroxy-5-(4-hydroxy-2-oxo-3-{[2-(propan-2-yl)phenyl]sulfanyl}-2H-pyran-6-yl)benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.3±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 403.04
ACD/KOC (pH 5.5): 1199.07
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 21.49
Polar Surface Area: 118 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 310.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement