ChemSpider 2D Image | 2-(3-{[(4E)-8-{3-[6,7-Dimethoxy-2-methyl-4-(3,4,5-trimethoxybenzyl)-3,4-dihydro-2(1H)-isoquinoliniumyl]propoxy}-8-oxo-4-octenoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-t etrahydroisoquinolinium | C58H80N2O14

2-(3-{[(4E)-8-{3-[6,7-Dimethoxy-2-methyl-4-(3,4,5-trimethoxybenzyl)-3,4-dihydro-2(1H)-isoquinoliniumyl]propoxy}-8-oxo-4-octenoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-t etrahydroisoquinolinium

  • Molecular FormulaC58H80N2O14
  • Average mass1029.260 Da
  • Monoisotopic mass1028.559814 Da
  • ChemSpider ID4447639

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-(3-{[(4E)-8-{3-[6,7-Dimethoxy-2-methyl-4-(3,4,5-trimethoxybenzyl)-3,4-dihydro-2(1H)-isochinoliniumyl]propoxy}-8-oxo-4-octenoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-t etrahydroisochinolinium [German] [ACD/IUPAC Name]
2-(3-{[(4E)-8-{3-[6,7-Diméthoxy-2-méthyl-4-(3,4,5-triméthoxybenzyl)-3,4-dihydro-2(1H)-isoquinoléiniumyl]propoxy}-8-oxo-4-octenoyl]oxy}propyl)-6,7-diméthoxy-2-méthyl-1-(3,4,5-triméthoxybenzyl)-1,2,3,4- tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
2-(3-{[(4E)-8-{3-[6,7-Dimethoxy-2-methyl-4-(3,4,5-trimethoxybenzyl)-3,4-dihydro-2(1H)-isoquinoliniumyl]propoxy}-8-oxo-4-octenoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-t etrahydroisoquinolinium [ACD/IUPAC Name]
Isoquinolinium, 2-[3-[[(4E)-8-[3-[3,4-dihydro-6,7-dimethoxy-2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-2(1H)-isoquinoliniumyl]propoxy]-1,8-dioxo-4-octen-1-yl]oxy]propyl]-1,2,3,4-tetrahydro-6,7-dimeth oxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.45
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

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