Deoxycytidine

C₉H₁₃N₃O₄ — CID 13711

About Deoxycytidine

Deoxycytidine (PubChem CID 13711) has the molecular formula C₉H₁₃N₃O₄ and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: Deoxycytidine
• PubChem CID: 13711
• Molecular Formula: C₉H₁₃N₃O₄
• Molecular Weight: 227.22 g/mol
• Exact Mass: 227.09
• IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
• InChI: InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
• InChIKey: CKTSBUTUHBMZGZ-SHYZEUOFSA-N
• XLogP: -1.53
• TPSA: 110.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	227.22
LogP ≤ 5	-1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Deoxycytidine?

The IUPAC name of Deoxycytidine (CID 13711) is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

What is the SMILES notation for Deoxycytidine?

The canonical SMILES for Deoxycytidine is Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.

What is the InChIKey of Deoxycytidine?

The InChIKey is CKTSBUTUHBMZGZ-SHYZEUOFSA-N. The full InChI is InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1.

What are the key properties of Deoxycytidine?

Deoxycytidine has a molecular weight of 227.22 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Deoxycytidine is sourced from PubChem (CID 13711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13711 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5786 — approved-drug record (CC BY-SA 4.0)

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