About D-Glucose
D-Glucose (PubChem CID 5793) has the molecular formula C6H12O6
and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
Molecular Properties
| Compound Name | D-Glucose |
| PubChem CID | 5793 |
| Molecular Formula | C6H12O6 |
| Molecular Weight | 180.16 g/mol |
| Exact Mass | 180.06 |
| IUPAC Name | (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O |
| InChI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 |
| InChIKey | WQZGKKKJIJFFOK-GASJEMHNSA-N |
| XLogP | -2.60 |
| TPSA | 110.00 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 12 |
| Complexity | 151 |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 180.16 |
| LogP ≤ 5 | -2.60 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of D-Glucose?
The IUPAC name of D-Glucose (CID 5793) is (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for D-Glucose?
The canonical SMILES for D-Glucose is C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O.
What is the InChIKey of D-Glucose?
The InChIKey is WQZGKKKJIJFFOK-GASJEMHNSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of D-Glucose?
D-Glucose has a molecular weight of 180.16 g/mol, XLogP of -2.60, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for D-Glucose is sourced from PubChem (CID 5793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).