ChemSpider 2D Image | 3-(4-Hydroxybenzyl)-2-(1-{[2-(4-hydroxyphenyl)ethyl]amino}-1-oxo-2-pentanyl)-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate | C32H35N3O5

3-(4-Hydroxybenzyl)-2-(1-{[2-(4-hydroxyphenyl)ethyl]amino}-1-oxo-2-pentanyl)-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate

  • Molecular FormulaC32H35N3O5
  • Average mass541.637 Da
  • Monoisotopic mass541.257690 Da
  • ChemSpider ID21542398

More details:

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

3-(4-Hydroxybenzyl)-2-(1-{[2-(4-hydroxyphenyl)ethyl]amino}-1-oxo-2-pentanyl)-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isochinolin-2-ium-1-olat [German] [ACD/IUPAC Name]
3-(4-Hydroxybenzyl)-2-(1-{[2-(4-hydroxyphényl)éthyl]amino}-1-oxo-2-pentanyl)-4-oxo-3,6,11,11a-tétrahydro-4H-pyrazino[1,2-b]isoquinoléin-2-ium-1-olate [French] [ACD/IUPAC Name]
3-(4-Hydroxybenzyl)-2-(1-{[2-(4-hydroxyphenyl)ethyl]amino}-1-oxo-2-pentanyl)-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate [ACD/IUPAC Name]
4H-Pyrazino[1,2-b]isoquinolinium, 3,6,11,11a-tetrahydro-1-hydroxy-2-[1-[[[2-(4-hydroxyphenyl)ethyl]amino]carbonyl]butyl]-3-[(4-hydroxyphenyl)methyl]-4-oxo-, inner salt [ACD/Index Name]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

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