fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury

C9H11FHgN2O5 — CID 14056400

IUPACfluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1[Hg]F
InChIInChI=1S/C9H11N2O5.FH.Hg/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;;/h2,5-6,8,12-13H,3-4H2,(H,10,14,15);1H;/q;;+1/p-1/t5-,6+,8+;;/m0../s1
InChIKeyPFZGFHZGAJOSLD-CDNBRZBRSA-M
MW446.78 g/mol
LogP-2.23
Rot. Bonds3

About fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury

fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury (PubChem CID 14056400) has the molecular formula C9H11FHgN2O5 and a molecular weight of 446.78 g/mol. Its IUPAC name is fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury.

Molecular Properties

Compound Namefluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury
PubChem CID14056400
Molecular FormulaC9H11FHgN2O5
Molecular Weight446.78 g/mol
Exact Mass448.04
IUPAC Namefluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1[Hg]F
InChIInChI=1S/C9H11N2O5.FH.Hg/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;;/h2,5-6,8,12-13H,3-4H2,(H,10,14,15);1H;/q;;+1/p-1/t5-,6+,8+;;/m0../s1
InChIKeyPFZGFHZGAJOSLD-CDNBRZBRSA-M
XLogP-2.23
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.78
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
5-(4-fluorophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 11151381
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 66863184
[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]boronic acid
CID 57268431
5-(2-hydroxyethyl)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71749030
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
CID 71752342
5-ethenyl-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 89341494
dihydroxy(oxo)phosphanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67825426
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione
CID 22253316

Frequently Asked Questions

What is the IUPAC name of fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury?
The IUPAC name of fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury (CID 14056400) is fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury.
What is the SMILES notation for fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury?
The canonical SMILES for fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1[Hg]F.
What is the InChIKey of fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury?
The InChIKey is PFZGFHZGAJOSLD-CDNBRZBRSA-M. The full InChI is InChI=1S/C9H11N2O5.FH.Hg/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;;/h2,5-6,8,12-13H,3-4H2,(H,10,14,15);1H;/q;;+1/p-1/t5-,6+,8+;;/m0../s1.
What are the key properties of fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury?
fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury has a molecular weight of 446.78 g/mol, XLogP of -2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury is sourced from PubChem (CID 14056400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).