About L-Sorbitol
L-Sorbitol (PubChem CID 82170) has the molecular formula C6H14O6
and a molecular weight of 182.17 g/mol. Its IUPAC name is (2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol.
Molecular Properties
| Compound Name | L-Sorbitol |
|---|
| PubChem CID | 82170 |
|---|
| Molecular Formula | C6H14O6 |
|---|
| Molecular Weight | 182.17 g/mol |
|---|
| Exact Mass | 182.08 |
|---|
| IUPAC Name | (2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol |
|---|
| SMILES | C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O |
|---|
| InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1 |
|---|
| InChIKey | FBPFZTCFMRRESA-FSIIMWSLSA-N |
|---|
| XLogP | -3.10 |
|---|
| TPSA | 121.00 Ų |
|---|
| H-Bond Donors | 6 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | 105 |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 182.17 |
| LogP ≤ 5 | -3.10 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of L-Sorbitol?
The IUPAC name of L-Sorbitol (CID 82170) is (2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for L-Sorbitol?
The canonical SMILES for L-Sorbitol is C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O.
What is the InChIKey of L-Sorbitol?
The InChIKey is FBPFZTCFMRRESA-FSIIMWSLSA-N. The full InChI is InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1.
What are the key properties of L-Sorbitol?
L-Sorbitol has a molecular weight of 182.17 g/mol, XLogP of -3.10, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for L-Sorbitol is sourced from PubChem (CID 82170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).