tetrabutylammonium 2,2'-bisphenolcyclophosphate | SBID = 1967 | 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: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C28H44NO4P
M / g/mol: 489.627021
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: tetrabutylammonium 2,2'-bisphenolcyclophosphate
  • Preferred Abbreviation: tetrabutylammonium 2,2'-bisphenolcyclophosphate
  • IUPAC Name:
  • CAS:
  • CID: -842
  • InChiKey: RDTUZRHABVICKP-UHFFFAOYSA-M
  • InChi: InChI=1S/C16H36N.C12H9O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;13-17(14)15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-17/h5-16H2,1-4H3;1-8H,(H,13,14)/q+1;/p-1
  • CanoSmiles: [O-]P1(=O)Oc2ccccc2-c2c(O1)cccc2.CCCC[N+](CCCC)(CCCC)CCCC
  • IsoSmiles: [O-]P1(OC2=CC=CC=C2C3=CC=CC=C3O1)=O.CCCC[N+](CCCC)(CCCC)CCCC