ChemSpider 2D Image | (5R)-5-Hydroxy-5-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-(4-hydroxyphenyl)-2(5H)-furanone | C22H22O5

(5R)-5-Hydroxy-5-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-(4-hydroxyphenyl)-2(5H)-furanone

  • Molecular FormulaC22H22O5
  • Average mass366.407 Da
  • Monoisotopic mass366.146729 Da
  • ChemSpider ID35516799

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-Hydroxy-5-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-(4-hydroxyphenyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-Hydroxy-5-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-(4-hydroxyphenyl)-2(5H)-furanone [ACD/IUPAC Name]
(5R)-5-Hydroxy-5-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzyl]-4-(4-hydroxyphényl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-hydroxy-5-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-4-(4-hydroxyphenyl)-, (5R)- [ACD/Index 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: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 223.6±25.0 °C
Index of Refraction: 1.655
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.97
ACD/KOC (pH 5.5): 588.48
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.47
ACD/KOC (pH 7.4): 582.85
Polar Surface Area: 87 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 278.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement