Acetylglucosamine

C₈H₁₅NO₆ — CID 24139

About Acetylglucosamine

Acetylglucosamine (PubChem CID 24139) has the molecular formula C₈H₁₅NO₆ and a molecular weight of 221.21 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: Acetylglucosamine
• PubChem CID: 24139
• Molecular Formula: C₈H₁₅NO₆
• Molecular Weight: 221.21 g/mol
• Exact Mass: 221.09
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
• InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
• InChIKey: OVRNDRQMDRJTHS-FMDGEEDCSA-N
• XLogP: -3.08
• TPSA: 119.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.21
LogP ≤ 5	-3.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Acetylglucosamine?

The IUPAC name of Acetylglucosamine (CID 24139) is N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for Acetylglucosamine?

The canonical SMILES for Acetylglucosamine is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.

What is the InChIKey of Acetylglucosamine?

The InChIKey is OVRNDRQMDRJTHS-FMDGEEDCSA-N. The full InChI is InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1.

What are the key properties of Acetylglucosamine?

Acetylglucosamine has a molecular weight of 221.21 g/mol, XLogP of -3.08, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Acetylglucosamine is sourced from PubChem (CID 24139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24139 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4615 — approved-drug record (CC BY-SA 4.0)

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