p-Sulfonatocalix[4]arene (tetrakis(2-(dimethylamino)-2-oxoethoxy)-substituted) | SBID = 1568 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 4.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 20.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C44H48N4O20S4----
M / g/mol: 1081.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, sulfonatocalixarene, typical host
  • Name: p-Sulfonatocalix[4]arene (tetrakis(2-(dimethylamino)-2-oxoethoxy)-substituted)
  • Preferred Abbreviation: sCX4-CH2CON(Me)2
  • IUPAC Name: 12,32,52,72-tetrakis(2-(dimethylamino)-2-oxoethoxy)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,35,55,75-tetrasulfonate
  • CAS:
  • CID: -623
  • InChiKey:
  • InChi:
  • CanoSmiles:
  • IsoSmiles: O=C(N(C)C)COC1=C(CC(C=C2S(=O)([O-])=O)=C3OCC(N(C)C)=O)C=C(S(=O)([O-])=O)C=C1CC4=C(OCC(N(C)C)=O)C(CC5=CC(S(=O)([O-])=O)=CC(CC3=C2)=C5OCC(N(C)C)=O)=CC(S(=O)([O-])=O)=C4