Mono-methyl viologen Gly6 scaffold | SBID = 1318 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 10.0
Number of H-Bond Acceptors: 18.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C32H45N11O9++
M / g/mol: 727.768000000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, dye, charged
  • Name: Mono-methyl viologen Gly6 scaffold
  • Preferred Abbreviation: Mono-methyl viologen Gly6 scaffold
  • IUPAC Name:
  • CAS:
  • CID: -460
  • InChiKey: HAGMBVYTPAUEPN-UHFFFAOYSA-P
  • InChi: InChI=1S/C32H43N11O9/c1-21(44)35-16-27(47)37-18-29(49)39-20-31(51)41-24(32(52)40-19-30(50)38-17-28(48)36-15-25(33)45)3-4-26(46)34-9-14-43-12-7-23(8-13-43)22-5-10-42(2)11-6-22/h5-8,10-13,24H,3-4,9,14-20H2,1-2H3,(H8-2,33,34,35,36,37,38,39,40,41,44,45,46,47,48,49,50,51,52)/p+2
  • CanoSmiles: O=C(CC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)C)NCC[n+]1ccc(cc1)c1cc[n+](cc1)C
  • IsoSmiles: CC(NCC(NCC(NCC(N[C@@H](CCC(NCC[N+]1=CC=C(C2=CC=[N+](C)C=C2)C=C1)=O)C(NCC(NCC(NCC(N)=O)=O)=O)=O)=O)=O)=O)=O