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Floxuridine

C9H11FN2O5 — CID 5790

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C9H11FN2O5/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
InChIKeyODKNJVUHOIMIIZ-RRKCRQDMSA-N
MW246.19 g/mol
LogP-1.68
Rot. Bonds2

About Floxuridine

Floxuridine (PubChem CID 5790) has the molecular formula C9H11FN2O5 and a molecular weight of 246.19 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound NameFloxuridine
PubChem CID5790
Molecular FormulaC9H11FN2O5
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C9H11FN2O5/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
InChIKeyODKNJVUHOIMIIZ-RRKCRQDMSA-N
XLogP-1.68
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Thymidine
CID 5789
Uridine
CID 6029
Idoxuridine
CID 5905
5-Bromo-2'-deoxyuridine
CID 6035
Deoxyuridine
CID 13712
Trifluridine
CID 6256
Doxifluridine
CID 18343
5-Fluorouridine
CID 9427
1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
CID 1134

Frequently Asked Questions

What is the IUPAC name of Floxuridine?
The IUPAC name of Floxuridine (CID 5790) is 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for Floxuridine?
The canonical SMILES for Floxuridine is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.
What is the InChIKey of Floxuridine?
The InChIKey is ODKNJVUHOIMIIZ-RRKCRQDMSA-N. The full InChI is InChI=1S/C9H11FN2O5/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 Floxuridine?
Floxuridine has a molecular weight of 246.19 g/mol, XLogP of -1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Floxuridine is sourced from PubChem (CID 5790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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