[(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate

C15H13FN2O5 — CID 23265288

IUPAC[(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
SMILESO=C(O[C@H]1CCO[C@H]1n1cc(F)c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H13FN2O5/c16-10-8-18(15(21)17-12(10)19)13-11(6-7-22-13)23-14(20)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2,(H,17,19,21)/t11-,13+/m0/s1
InChIKeyITMFHVYTKQSNOZ-WCQYABFASA-N
MW320.28 g/mol
LogP0.82
Rot. Bonds3

About [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate

[(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate (PubChem CID 23265288) has the molecular formula C15H13FN2O5 and a molecular weight of 320.28 g/mol. Its IUPAC name is [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
PubChem CID23265288
Molecular FormulaC15H13FN2O5
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name[(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
SMILESO=C(O[C@H]1CCO[C@H]1n1cc(F)c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H13FN2O5/c16-10-8-18(15(21)17-12(10)19)13-11(6-7-22-13)23-14(20)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2,(H,17,19,21)/t11-,13+/m0/s1
InChIKeyITMFHVYTKQSNOZ-WCQYABFASA-N
XLogP0.82
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 59042345
[(2R,3R,4R,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
CID 10005546
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
[(2R,3S,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxido-oxophosphanium;triethylazanium
CID 11799996
[(3S,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl] benzoate
CID 129172697
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-chlorobenzoate
CID 127028223
[(3R,4R,5R)-4,5-dibenzoyloxy-6-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2,4-dioxopyrimidin-1-yl]oxan-3-yl] benzoate
CID 90865034
[(3R,4S,5R)-5-ethyl-4-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
CID 118231585
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
CID 11783400
[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
CID 57137294
[3-benzoyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl benzoate
CID 134273402

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate?
The IUPAC name of [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate (CID 23265288) is [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate.
What is the SMILES notation for [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate?
The canonical SMILES for [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate is O=C(O[C@H]1CCO[C@H]1n1cc(F)c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate?
The InChIKey is ITMFHVYTKQSNOZ-WCQYABFASA-N. The full InChI is InChI=1S/C15H13FN2O5/c16-10-8-18(15(21)17-12(10)19)13-11(6-7-22-13)23-14(20)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2,(H,17,19,21)/t11-,13+/m0/s1.
What are the key properties of [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate?
[(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate has a molecular weight of 320.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate is sourced from PubChem (CID 23265288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).