COMPUTED DESCRIPTORS
| Molecular Weight | 634.2 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 15 |
| Exact Mass | 633.96207 g/mol |
| Monoisotopic Mass | 631.96412 g/mol |
| Topological Polar Surface Area | 174 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 679 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5,5'-dibromo-BAPTA is a polyamino carboxylic acid, the structure of which is that of BAPTA carrying bromine substituents at C-5 and C-5'. It has a role as a chelator. It is functionally related to a BAPTA.