1-{6-[(6-Ammoniohexyl)amino]-6-oxohexyl}-3,3-dimethyl-2-[(1E,3E,5E)-5-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3H-indolium-5-sulfonate | CAS No. 2183440-44-8

1-{6-[(6-Ammoniohexyl)amino]-6-oxohexyl}-3,3-dimethyl-2-[(1E,3E,5E)-5-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3H-indolium-5-sulfonate

Basic Information

CAS Number

2183440-44-8

Molecular Formula

C38H52N4O7S2

Molecular Weight

740.97 g/mol

AD

Basic Physical Properties

Solubility

Soluble in water, DMF, DMSO, alcohols

CC1(C)/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCC[NH3+])C3=CC=C(C=C3C2(C)C)S([O-])(=O)=O)/N(C)C2=CC=C(C=C12)S([O-])(=O)=O

InChI

InChI=1S/C38H52N4O7S2/c1-37(2)30-26-28(50(44,45)46)19-21-32(30)41(5)34(37)16-10-8-11-17-35-38(3,4)31-27-29(51(47,48)49)20-22-33(31)42(35)25-15-9-12-18-36(43)40-24-14-7-6-13-23-39/h8,10-11,16-17,19-22,26-27H,6-7,9,12-15,18,23-25,39H2,1-5H3,(H2-,40,43,44,45,46,47,48,49)

InChIKey

YAAUASLQACUDFY-UHFFFAOYSA-N

Synonyms & References

English

  • diSulfo-Cy5 amine
  • sulfo Cy5(Me) NH2.HCl
  • Disulfo-Cy5 amine

MDL Number

MFCD31580126

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