2D structurePubChem CID 439352
Azonosítás
Dithioerythritol
Nincs megadva · C4H10O2S2
01Azonosítás
| Lazychem ID | LC-107793 |
|---|---|
| CAS RN | Nincs megadva |
| PubChem CID | 439352 |
| Molecular formula | C4H10O2S2 |
| Molecular weight | 154.3 g/mol |
| IUPAC name | (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol |
| InChIKey | VHJLVAABSRFDPM-ZXZARUISSA-N |
02Szerkezet és sztereokémia
2D structurePubChem CID 439352
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 | C([C@H]([C@H](CS)O)O)S |
|---|---|
| InChI | Nincs megadva |
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
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.
04Indiai státusz
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nevek és kapcsolatok
API és anyavegyület
Nincs megadva
Nevek és kapcsolatok
06Források
- S01PubChem CID 439352
Structure and machine-readable chemical identifiers.