2D structurePubChem CID 440080
Identiteit
1-Kestose
Niet vermeld · C18H32O16
01Identiteit
| Lazychem ID | LC-107718 |
|---|---|
| CAS RN | Niet vermeld |
| PubChem CID | 440080 |
| Molecular formula | C18H32O16 |
| Molecular weight | 504.4 g/mol |
| IUPAC name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | VAWYEUIPHLMNNF-OESPXIITSA-N |
02Structuur en stereochemie
2D structurePubChem CID 440080
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O |
|---|---|
| InChI | Niet vermeld |
03Stereochemistry
The published structure contains 13 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres13Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8,192Before 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 440080
Structure and machine-readable chemical identifiers.