ChemSpider 2D Image | (3S,4R)-1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-2,5-pyrrolidinedione | C14H17NO4

(3S,4R)-1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-2,5-pyrrolidinedione

  • Molecular FormulaC14H17NO4
  • Average mass263.289 Da
  • Monoisotopic mass263.115753 Da
  • ChemSpider ID78440872

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
(3S,4R)-1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3S,4R)-1-Hydroxy-3-(4-hydroxyphényl)-4-isobutyl-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)-, (3S,4R)- [ACD/Index Name]
Trans-1-hydroxy-3-(4-hydroxyphenyl)-4-isobutylpyrrolidine-2,5-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.1±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 81.81
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 55.39
Polar Surface Area: 78 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 203.3±3.0 cm3

Click to predict properties on the Chemicalize site


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