2D structurePubChem CID 126041
Tożsamość
Ectoine
Nie podano · C6H10N2O2
01Tożsamość
| Lazychem ID | LC-115241 |
|---|---|
| CAS RN | Nie podano |
| PubChem CID | 126041 |
| Molecular formula | C6H10N2O2 |
| Molecular weight | 142.16 g/mol |
| IUPAC name | (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid |
| InChIKey | WQXNXVUDBPYKBA-YFKPBYRVSA-N |
02Struktura i stereochemia
2D structurePubChem CID 126041
The parsed structure contains 1 ring, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 1 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | CC1=NCC[C@H](N1)C(=O)O |
|---|---|
| InChI | Nie podano |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.
04Status w Indiach
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazwy i powiązania
API i lek macierzysty
Nie podano
Nazwy i powiązania
06Źródła
- S01PubChem CID 126041
Structure and machine-readable chemical identifiers.