2D structurePubChem CID 6326020
Identiteit
Sibiricose A5
Niet vermeld · C22H30O14
01Identiteit
| Lazychem ID | LC-48726 |
|---|---|
| CAS RN | Niet vermeld |
| PubChem CID | 6326020 |
| Molecular formula | C22H30O14 |
| Molecular weight | 518.5 g/mol |
| IUPAC name | [(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| InChIKey | ZPEADZHVGOCGKH-YQTDNFGYSA-N |
02Structuur en stereochemie
2D structurePubChem CID 6326020
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O |
|---|---|
| InChI | Niet vermeld |
03Stereochemistry
The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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 6326020
Structure and machine-readable chemical identifiers.