2D structurePubChem CID 5280335
Identidade
Sphingosine
Não indicado · C18H37NO2
01Identidade
| Lazychem ID | LC-85776 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 5280335 |
| Molecular formula | C18H37NO2 |
| Molecular weight | 299.5 g/mol |
| IUPAC name | (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol |
| InChIKey | WWUZIQQURGPMPG-KRWOKUGFSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 5280335
The parsed structure is acyclic, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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 5280335
Structure and machine-readable chemical identifiers.