Idoxuridine

C₉H₁₁IN₂O₅ — CID 5905

About Idoxuridine

Idoxuridine (PubChem CID 5905) has the molecular formula C₉H₁₁IN₂O₅ and a molecular weight of 354.10 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Idoxuridine
• PubChem CID: 5905
• Molecular Formula: C₉H₁₁IN₂O₅
• Molecular Weight: 354.10 g/mol
• Exact Mass: 353.97
• IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
• InChI: InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
• InChIKey: XQFRJNBWHJMXHO-RRKCRQDMSA-N
• XLogP: -1.22
• TPSA: 104.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.10
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Idoxuridine?

The IUPAC name of Idoxuridine (CID 5905) is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione.

What is the SMILES notation for Idoxuridine?

The canonical SMILES for Idoxuridine is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I.

What is the InChIKey of Idoxuridine?

The InChIKey is XQFRJNBWHJMXHO-RRKCRQDMSA-N. The full InChI is InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1.

What are the key properties of Idoxuridine?

Idoxuridine has a molecular weight of 354.10 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Idoxuridine is sourced from PubChem (CID 5905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5905 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1417 — approved-drug record (CC BY-SA 4.0)

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