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Search term: 78436195 (Found by CSID)
ChemSpider 2D Image | (3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E)-1-hydroxy-4-methyl-2,4-hexadien-1-ylidene]-2,4-pyrrolidinedione | C18H19NO4

(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E)-1-hydroxy-4-methyl-2,4-hexadien-1-ylidene]-2,4-pyrrolidinedione

  • Molecular FormulaC18H19NO4
  • Average mass313.348 Da
  • Monoisotopic mass313.131409 Da
  • ChemSpider ID78436195

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E)-1-hydroxy-4-methyl-2,4-hexadien-1-yliden]-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E)-1-hydroxy-4-methyl-2,4-hexadien-1-ylidene]-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E)-1-hydroxy-4-méthyl-2,4-hexadién-1-ylidène]-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[(2E,4E)-1-hydroxy-4-methyl-2,4-hexadien-1-ylidene]-5-[(4-hydroxyphenyl)methyl]-, (3E,5S)- [ACD/Index Name]
Prototenellin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 132.96
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.69
Polar Surface Area: 87 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 246.9±3.0 cm3

Click to predict properties on the Chemicalize site


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