Gluconic acid

C₆H₁₂O₇ — CID 10690

About Gluconic acid

Gluconic acid (PubChem CID 10690) has the molecular formula C₆H₁₂O₇ and a molecular weight of 196.16 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

• Compound Name: Gluconic acid
• PubChem CID: 10690
• Molecular Formula: C₆H₁₂O₇
• Molecular Weight: 196.16 g/mol
• Exact Mass: 196.06
• IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
• SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
• InChIKey: RGHNJXZEOKUKBD-SQOUGZDYSA-N
• XLogP: -3.49
• TPSA: 138.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	196.16
LogP ≤ 5	-3.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Gluconic acid?

The IUPAC name of Gluconic acid (CID 10690) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.

What is the SMILES notation for Gluconic acid?

The canonical SMILES for Gluconic acid is O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of Gluconic acid?

The InChIKey is RGHNJXZEOKUKBD-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1.

What are the key properties of Gluconic acid?

Gluconic acid has a molecular weight of 196.16 g/mol, XLogP of -3.49, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Gluconic acid is sourced from PubChem (CID 10690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10690 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3264 — approved-drug record (CC BY-SA 4.0)

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