o-(Hout)2-2.2.2 | SBID = 1241 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
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: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H38O12
M / g/mol: 470.50852
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, typical host
  • Name: o-(Hout)2-2.2.2
  • Preferred Abbreviation: o-(H)2-2.2.2
  • IUPAC Name:
  • CAS:
  • CID: -413
  • InChiKey: HLOVKCOTSYRRHP-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H38O12/c1-2-22-8-14-28-20-31-17-11-25-5-3-23-9-15-29-19(27-13-7-21-1)30-16-10-24-4-6-26-12-18-32-20/h19-20H,1-18H2
  • CanoSmiles: C1COCCOC2OCCOCCOCCOC(OCCO1)OCCOCCOCCO2
  • IsoSmiles: [H]C(OCCOCCOCCO1)(OCCOCCOCCO2)OCCOCCOCCOC12[H]