2D structurePubChem CID 447607
Identité
Afegostat
Non indiqué · C6H13NO3
01Identité
| Lazychem ID | LC-107433 |
|---|---|
| CAS RN | Non indiqué |
| PubChem CID | 447607 |
| Molecular formula | C6H13NO3 |
| Molecular weight | 147.17 g/mol |
| IUPAC name | (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol |
| InChIKey | QPYJXFZUIJOGNX-HSUXUTPPSA-N |
02Structure et stéréochimie
2D structurePubChem CID 447607
The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 1 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C1[C@@H]([C@H]([C@@H](CN1)O)O)CO |
|---|---|
| InChI | Non indiqué |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.
04Statut en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
06Sources
- S01PubChem CID 447607
Structure and machine-readable chemical identifiers.