Cyanine derivative Cy5 | SBID = 263 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 0
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C33H41N2O6S2-
M / g/mol: 625.82
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, dye
  • Name: Cyanine derivative Cy5
  • Preferred Abbreviation: Cy5
  • IUPAC Name: 4-((E)-2-((2E,4E)-5-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
  • CAS:
  • CID: -39
  • InChiKey: YSHOYJXKFXTXMZ-UHFFFAOYSA-M
  • InChi: InChI=1S/C33H42N2O6S2/c1-32(2)26-16-8-10-18-28(26)34(22-12-14-24-42(36,37)38)30(32)20-6-5-7-21-31-33(3,4)27-17-9-11-19-29(27)35(31)23-13-15-25-43(39,40)41/h5-11,16-21H,12-15,22-25H2,1-4H3,(H-,36,37,38,39,40,41)/p-1
  • CanoSmiles: CC1(C)C(/C=C/C=C/C=C2C(C)(C)C3=C(C=CC=C3)N\2CCCCS(=O)([O-])=O)=[N+](CCCCS(=O)([O-])=O)C4=C1C=CC=C4
  • IsoSmiles: O=S(CCCCN1/C(C(C)(C)C2=C1C=CC=C2)=C/C=C/C=C/C3=[N+](CCCCS(=O)([O-])=O)C4=C(C=CC=C4)C3(C)C)([O-])=O