BDP 581/591 carboxylic acid

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BDP 581/591 carboxylic acid

BDP 581/591 carboxylic acid | CAS 480999-04-0

Catalog Number F01-0236
Category BODIPY
Molecular Formula C22H19BF2N2O2
Molecular Weight 392.2
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Product Introduction

BDP 581/591 carboxylic acid is a BDP linker containing a carboxylic acid. The BDP 581/591 is very photostable. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.

  • Chemical Information

  • Product Specification

  • Computed Properties

Purity 95%
IUPAC Name 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoic acid
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)O)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F
InChI InChI=1S/C22H19BF2N2O2/c24-23(25)26-18(9-5-4-8-17-6-2-1-3-7-17)10-12-20(26)16-21-13-11-19(27(21)23)14-15-22(28)29/h1-13,16H,14-15H2,(H,28,29)/b8-4+,9-5+
InChIKey BNURWCMGIJOEAC-KBXRYBNXSA-N
Solubility DMF, DMSO, DCM
Excitation 585
Emission 594
Storage -20 °C
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 392.1507643 g/mol
Monoisotopic Mass 392.1507643 g/mol
Topological Polar Surface Area 45.2Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 810
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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