Acid-Cy7-NHS ester

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Acid-Cy7-NHS ester

Acid-Cy7-NHS ester

Catalog Number A17-0183
Category Cyanine7
Molecular Formula C46H55Cl2N3O6
Molecular Weight 816.9
Catalog Number Size Price Quantity
A17-0183 -- $--

Product Introduction

Acid-Cy7 NHS ester, an improved analog of Cy7? fluorophore, contains an acid group and an NHS ester. This reagent allows labeled biomolecules and dye labeled molecules to be subsequently used for various research and drug design related experiments. The carboxylic acid can react with primary amines in the presence of activators such as HATU and EDC. The NHS ester can also react with primary amines.

Chemical Information

Purity 98%
IUPAC Name 6-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)ON6C(=O)CCC6=O)(C)C)CCC3)Cl)CCCCCC(=O)O)C.[Cl-]
InChI InChI=1S/C46H54ClN3O6.ClH/c1-45(2)34-18-9-11-20-36(34)48(30-13-5-7-22-42(53)54)38(45)26-24-32-16-15-17-33(44(32)47)25-27-39-46(3,4)35-19-10-12-21-37(35)49(39)31-14-6-8-23-43(55)56-50-40(51)28-29-41(50)52;/h9-12,18-21,24-27H,5-8,13-17,22-23,28-31H2,1-4H3;1H
InChI Key OSTXPBWYJUDMOU-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 17
Exact Mass 815.3467919 g/mol
Monoisotopic Mass 815.3467919 g/mol
Topological Polar Surface Area 107Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1650
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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