Stavudine

C₁₀H₁₂N₂O₄ — CID 18283

About Stavudine

Stavudine (PubChem CID 18283) has the molecular formula C₁₀H₁₂N₂O₄ and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Stavudine
• PubChem CID: 18283
• Molecular Formula: C₁₀H₁₂N₂O₄
• Molecular Weight: 224.22 g/mol
• Exact Mass: 224.08
• IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
• InChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-N
• XLogP: -0.71
• TPSA: 84.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.22
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Stavudine?

The IUPAC name of Stavudine (CID 18283) is 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for Stavudine?

The canonical SMILES for Stavudine is Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O.

What is the InChIKey of Stavudine?

The InChIKey is XNKLLVCARDGLGL-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1.

What are the key properties of Stavudine?

Stavudine has a molecular weight of 224.22 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Stavudine is sourced from PubChem (CID 18283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18283 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2478 — approved-drug record (CC BY-SA 4.0)

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