2D structurePubChem CID 21923987
Identiteit
2-Hydroxypropyl 2-hydroxypropanoate
Niet vermeld · C6H12O4
01Identiteit
| Lazychem ID | LC-42476 |
|---|---|
| CAS RN | Niet vermeld |
| PubChem CID | 21923987 |
| Molecular formula | C6H12O4 |
| Molecular weight | 148.16 g/mol |
| IUPAC name | 2-hydroxypropyl 2-hydroxypropanoate |
| InChIKey | RJQYORITUSNLNB-UHFFFAOYSA-N |
02Structuur en stereochemie
2D structurePubChem CID 21923987
The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(COC(=O)C(C)O)O |
|---|---|
| InChI | Niet vermeld |
03Stereochemistry
The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact 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.
04Status in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen en relaties
API en moedergeneesmiddel
Niet vermeld
Namen en relaties
06Bronnen
- S01PubChem CID 21923987
Structure and machine-readable chemical identifiers.