2D structurePubChem CID 441036
Tunnistetiedot
Allulose
CAS 551-68-8 · C6H12O6
01Tunnistetiedot
| Lazychem ID | LC-100887 |
|---|---|
| CAS RN | 551-68-8 |
| PubChem CID | 441036 |
| Molecular formula | C6H12O6 |
| Molecular weight | 180.16 g/mol |
| IUPAC name | (3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| InChIKey | LKDRXBCSQODPBY-JDJSBBGDSA-N |
02Rakenne ja stereokemia
2D structurePubChem CID 441036
The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O |
|---|---|
| InChI | Ei ilmoitettu |
03Stereochemistry
The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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.
2D structurePubChem CID 2723872
D-Fructose / Topiramate EP Impurity E / Glucose EP Impurity D / Fructose
CAS 57-48-7
LKDRXBCSQODPBY-VRPWFDPXSA-N
3 defined, 1 unassigned centres
2D structurePubChem CID 439312
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.
04Tila Intiassa
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nimet ja suhteet
API ja emolääke
Ei ilmoitettu
Nimet ja suhteet
- psicopyranose
- D-Altrulose
- D-Pseudofructose
- D-Erythro-hexulose
- D-Psicopyranose
- D-Ribo-2-ketohexulose
- Psicopyranoside
- D-Psicopyranoside
- (3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
- D-Ribo-Hexopyran-2-ulose
- D-Ribo-Hex-2-ulo-Pyranose
- (3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
06Lähteet
- S01PubChem CID 441036
Structure and machine-readable chemical identifiers.