D fructose

C₆H₁₂O₆ — CID 2723872

About D fructose

D fructose (PubChem CID 2723872) has the molecular formula C₆H₁₂O₆ and a molecular weight of 180.16 g/mol. Its IUPAC name is (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: D fructose
• PubChem CID: 2723872
• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.16 g/mol
• Exact Mass: 180.06
• IUPAC Name: (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
• SMILES: OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
• InChIKey: LKDRXBCSQODPBY-VRPWFDPXSA-N
• XLogP: -3.22
• TPSA: 110.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.16
LogP ≤ 5	-3.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of D fructose?

The IUPAC name of D fructose (CID 2723872) is (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.

What is the SMILES notation for D fructose?

The canonical SMILES for D fructose is OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of D fructose?

The InChIKey is LKDRXBCSQODPBY-VRPWFDPXSA-N. The full InChI is InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1.

What are the key properties of D fructose?

D fructose has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for D fructose is sourced from PubChem (CID 2723872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2723872 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1252 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.