Delta gluconolactone

C₆H₁₀O₆ — CID 7027

About Delta gluconolactone

Delta gluconolactone (PubChem CID 7027) has the molecular formula C₆H₁₀O₆ and a molecular weight of 178.14 g/mol. Its IUPAC name is (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

• Compound Name: Delta gluconolactone
• PubChem CID: 7027
• Molecular Formula: C₆H₁₀O₆
• Molecular Weight: 178.14 g/mol
• Exact Mass: 178.05
• IUPAC Name: (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
• SMILES: O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
• InChIKey: PHOQVHQSTUBQQK-SQOUGZDYSA-N
• XLogP: -3.01
• TPSA: 107.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.14
LogP ≤ 5	-3.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Delta gluconolactone?

The IUPAC name of Delta gluconolactone (CID 7027) is (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one.

What is the SMILES notation for Delta gluconolactone?

The canonical SMILES for Delta gluconolactone is O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of Delta gluconolactone?

The InChIKey is PHOQVHQSTUBQQK-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1.

What are the key properties of Delta gluconolactone?

Delta gluconolactone has a molecular weight of 178.14 g/mol, XLogP of -3.01, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Delta gluconolactone is sourced from PubChem (CID 7027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7027 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5144 — approved-drug record (CC BY-SA 4.0)

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