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BDP 581/591 carboxylic acid | CAS 480999-04-0
| Catalog Number | F01-0236 |
| Category | BODIPY |
| Molecular Formula | C22H19BF2N2O2 |
| Molecular Weight | 392.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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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