5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid

C9H14FN2O9P — CID 66863184

About 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid

5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid (PubChem CID 66863184) has the molecular formula C9H14FN2O9P and a molecular weight of 344.19 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid.

Molecular Properties

• Compound Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
• PubChem CID: 66863184
• Molecular Formula: C9H14FN2O9P
• Molecular Weight: 344.19 g/mol
• Exact Mass: 344.04
• IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
• SMILES: O=P(O)(O)O.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
• InChI: InChI=1S/C9H11FN2O5.H3O4P/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7;1-5(2,3)4/h2,5-7,13-14H,1,3H2,(H,11,15,16);(H3,1,2,3,4)/t5-,6+,7+;/m0./s1
• InChIKey: DYEXONVDIJDFRC-VWZUFWLJSA-N
• XLogP: -2.61
• TPSA: 182.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.19
LogP ≤ 5	-2.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

The IUPAC name of 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid (CID 66863184) is 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid.

What is the SMILES notation for 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

The canonical SMILES for 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid is O=P(O)(O)O.O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.

What is the InChIKey of 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

The InChIKey is DYEXONVDIJDFRC-VWZUFWLJSA-N. The full InChI is InChI=1S/C9H11FN2O5.H3O4P/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7;1-5(2,3)4/h2,5-7,13-14H,1,3H2,(H,11,15,16);(H3,1,2,3,4)/t5-,6+,7+;/m0./s1.

What are the key properties of 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid?

5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid has a molecular weight of 344.19 g/mol, XLogP of -2.61, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid is sourced from PubChem (CID 66863184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).