5,11,17,23-Tetrakis-(hydroxymethoxyphosphoryl)- 25,26,27,28-tetrapropoxycalix[4]arene Tetralithium Salt | SBID = 1286 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 7
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 16.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C42H56Li4O16P4
M / g/mol: 992.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, calixarene, typical host
  • Name: 5,11,17,23-Tetrakis-(hydroxymethoxyphosphoryl)- 25,26,27,28-tetrapropoxycalix[4]arene Tetralithium Salt
  • Preferred Abbreviation: MeO-pCx4-OPr
  • IUPAC Name:
  • CAS:
  • CID: -437
  • InChiKey: GJPJOGPIVSQUCN-UHFFFAOYSA-J
  • InChi: InChI=1S/C44H60O16P4.4Li/c1-9-13-57-41-29-17-31-23-38(62(47,48)54-6)25-33(42(31)58-14-10-2)19-35-27-40(64(51,52)56-8)28-36(44(35)60-16-12-4)20-34-26-39(63(49,50)55-7)24-32(43(34)59-15-11-3)18-30(41)22-37(21-29)61(45,46)53-5;;;;/h21-28H,9-20H2,1-8H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4
  • CanoSmiles: CCCOC1=C2CC3=CC(P(OC)(O[Li])=O)=CC(CC4=C(OCCC)C(CC5=C(OCCC)C(CC1=CC(P(OC)(O[Li])=O)=C2)=CC(P(OC)(O[Li])=O)=C5)=CC(P(OC)(O[Li])=O)=C4)=C3OCCC
  • IsoSmiles: CCCOC1=C2CC3=CC(P(OC)(O[Li])=O)=CC(CC4=C(OCCC)C(CC5=C(OCCC)C(CC1=CC(P(OC)(O[Li])=O)=C2)=CC(P(OC)(O[Li])=O)=C5)=CC(P(OC)(O[Li])=O)=C4)=C3OCCC