ChemSpider 2D Image | (3S,5S)-3-Hydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2,4-pyrrolidinedione | C13H15NO4

(3S,5S)-3-Hydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2,4-pyrrolidinedione

  • Molecular FormulaC13H15NO4
  • Average mass249.262 Da
  • Monoisotopic mass249.100113 Da
  • ChemSpider ID24664815
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,5S)-3-Hydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3S,5S)-3-Hydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3S,5S)-3-Hydroxy-5-(4-hydroxybenzyl)-1,3-diméthyl-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-hydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethyl-, (3S,5S)- [ACD/Index Name]
RIGIDIUSCULAMIDE B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 505.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 259.5±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.30
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.20
Polar Surface Area: 78 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 184.9±3.0 cm3

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