[3.3.3]Cryptand | SBID = 941 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 12
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: 11.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H48N2O9
M / g/mol: 508.64592
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, typical host
  • Name: [3.3.3]Cryptand
  • Preferred Abbreviation: [3.3.3]Cryptand
  • IUPAC Name:
  • CAS:
  • CID: -303
  • InChiKey: JLDLVFWRWCPHLI-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H48N2O9/c1-7-27-13-19-33-22-16-30-10-4-26-5-11-31-17-23-34-20-14-28-8-2-25(1)3-9-29-15-21-35-24-18-32-12-6-26/h1-24H2
  • CanoSmiles: O1CCOCCN2CCOCCOCCOCCN(CCOCC1)CCOCCOCCOCC2
  • IsoSmiles: N1(CCOCCOCCOCC2)CCOCCOCCOCCN2CCOCCOCCOCC1