2D structurePubChem CID 15991534
Identiteta
Biotin-D-Sulfoxide
Ni navedeno · C10H16N2O4S
01Identiteta
| Lazychem ID | LC-43529 |
|---|---|
| CAS RN | Ni navedeno |
| PubChem CID | 15991534 |
| Molecular formula | C10H16N2O4S |
| Molecular weight | 260.31 g/mol |
| IUPAC name | 5-[(3aS,4S,5S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid |
| InChIKey | KCSKCIQYNAOBNQ-OKPRWBIXSA-N |
02Struktura in stereokemija
2D structurePubChem CID 15991534
The parsed structure contains 2 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 4 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2 |
|---|---|
| InChI | Ni navedeno |
03Stereochemistry
The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction
Published same-connectivity configurations
3 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
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 v Indiji
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Imena in povezave
API in matično zdravilo
Ni navedeno
Imena in povezave
06Viri
- S01PubChem CID 15991534
Structure and machine-readable chemical identifiers.