ChemSpider 2D Image | (3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-2,4-pyrrolidinedione | C21H25NO4

(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-2,4-pyrrolidinedione

  • Molecular FormulaC21H25NO4
  • Average mass355.427 Da
  • Monoisotopic mass355.178345 Da
  • ChemSpider ID78436212

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethyl-2,4-octadien-1-yliden]-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3E,5S)-5-(4-Hydroxybenzyl)-3-[(2E,4E,6R)-1-hydroxy-4,6-diméthyl-2,4-octadién-1-ylidène]-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[(2E,4E,6R)-1-hydroxy-4,6-dimethyl-2,4-octadien-1-ylidene]-5-[(4-hydroxyphenyl)methyl]-, (3E,5S)- [ACD/Index Name]
Pretenellin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.7±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 41.37
ACD/KOC (pH 5.5): 480.07
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 42.15
Polar Surface Area: 87 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 296.8±3.0 cm3

Click to predict properties on the Chemicalize site


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