sulfonated pillar[5]arene | SBID = 1451 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 36
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 30.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C35H20Na10O40S10
M / g/mol: 1631.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, pillararene, typical host
  • Name: sulfonated pillar[5]arene
  • Preferred Abbreviation: sP5A
  • IUPAC Name:
  • CAS:
  • CID: -538
  • InChiKey:
  • InChi:
  • CanoSmiles: [OSO3]C1=CC(CC2=C([O-]S(=O)([O-])=O)C=C3C(OS(=O)([O-])=O)=C2)=C(OS(=O)([O-])=O)C=C1CC4=C[C-](OS(=O)([O-])=O)=C(CC5=CC(OS(=O)([O-])=O)=C(CC6=CC(OS(=O)([O])=O)=C(C3)C=C6OS(=O)([O-])=O)C=C5OS(=O)([O-])=O)C=C4OS(=O)([O-])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
  • IsoSmiles: [OSO3]C1=CC(CC2=C([O-]S(=O)([O-])=O)C=C3C(OS(=O)([O-])=O)=C2)=C(OS(=O)([O-])=O)C=C1CC4=C[C-](OS(=O)([O-])=O)=C(CC5=CC(OS(=O)([O-])=O)=C(CC6=CC(OS(=O)([O])=O)=C(C3)C=C6OS(=O)([O-])=O)C=C5OS(=O)([O-])=O)C=C4OS(=O)([O-])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]