2D structurePubChem CID 99860
Identidade
2,5-Dibromoadipic acid
Não indicado · C6H8Br2O4
01Identidade
| Lazychem ID | LC-116939 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 99860 |
| Molecular formula | C6H8Br2O4 |
| Molecular weight | 303.93 g/mol |
| IUPAC name | 2,5-dibromohexanedioic acid |
| InChIKey | KABAKEOYQZKPBA-UHFFFAOYSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 99860
The parsed structure is acyclic, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C(CC(C(=O)O)Br)C(C(=O)O)Br |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
06Fontes
- S01PubChem CID 99860
Structure and machine-readable chemical identifiers.