ChemSpider 2D Image | 6-[(2E,5E)-3,7-Dimethyl-2,5-octadien-1-yl]-4,5-dihydroxy-3-methyl-5-propyl-2(5H)-pyridinone | C19H29NO3

6-[(2E,5E)-3,7-Dimethyl-2,5-octadien-1-yl]-4,5-dihydroxy-3-methyl-5-propyl-2(5H)-pyridinone

  • Molecular FormulaC19H29NO3
  • Average mass319.439 Da
  • Monoisotopic mass319.214752 Da
  • ChemSpider ID23324105

  • Double-bond stereo - Double-bond stereo

More details:

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

2(5H)-Pyridinone, 6-[(2E,5E)-3,7-dimethyl-2,5-octadien-1-yl]-4,5-dihydroxy-3-methyl-5-propyl- [ACD/Index Name]
6-[(2E,5E)-3,7-Dimethyl-2,5-octadien-1-yl]-4,5-dihydroxy-3-methyl-5-propyl-2(5H)-pyridinon [German] [ACD/IUPAC Name]
6-[(2E,5E)-3,7-Dimethyl-2,5-octadien-1-yl]-4,5-dihydroxy-3-methyl-5-propyl-2(5H)-pyridinone [ACD/IUPAC Name]
6-[(2E,5E)-3,7-Diméthyl-2,5-octadién-1-yl]-4,5-dihydroxy-3-méthyl-5-propyl-2(5H)-pyridinone [French] [ACD/IUPAC Name]
6-[(2E,5E)-3,7-dimethylocta-2,5-dien-1-yl]-4,5-dihydroxy-3-methyl-5-propylpyridin-2(5H)-one
4,5-dihydroxy-6-[(E,E)-(3,7-dimethylocta-2,5-dienyl]-3-methyl-5-propyl-5H-pyridin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL272356/
IROMYCIN E

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 234.9±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 92.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 46.86
ACD/KOC (pH 5.5): 292.94
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.96
Polar Surface Area: 70 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

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