2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid

C10H12FN2O7P — CID 68594152

IUPAC2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid
SMILESO=c1ccn(C2OC(C=CP(=O)(O)O)C(O)C2F)c(=O)[nH]1
InChIInChI=1S/C10H12FN2O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1-5,7-9,15H,(H,12,14,16)(H2,17,18,19)
InChIKeyMFJSMSUFJROBMZ-UHFFFAOYSA-N
MW322.19 g/mol
LogP-1.18
Rot. Bonds3

About 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid

2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid (PubChem CID 68594152) has the molecular formula C10H12FN2O7P and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid.

Molecular Properties

Compound Name2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid
PubChem CID68594152
Molecular FormulaC10H12FN2O7P
Molecular Weight322.19 g/mol
Exact Mass322.04
IUPAC Name2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid
SMILESO=c1ccn(C2OC(C=CP(=O)(O)O)C(O)C2F)c(=O)[nH]1
InChIInChI=1S/C10H12FN2O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1-5,7-9,15H,(H,12,14,16)(H2,17,18,19)
InChIKeyMFJSMSUFJROBMZ-UHFFFAOYSA-N
XLogP-1.18
TPSA141.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde
CID 123909297
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
[(E)-2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(propan-2-yl)phosphoryl]oxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid
CID 118933232
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 68506781
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 23616153
1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione
CID 163773061
1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 71340660

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid?
The IUPAC name of 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid (CID 68594152) is 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid.
What is the SMILES notation for 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid?
The canonical SMILES for 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid is O=c1ccn(C2OC(C=CP(=O)(O)O)C(O)C2F)c(=O)[nH]1.
What is the InChIKey of 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid?
The InChIKey is MFJSMSUFJROBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN2O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1-5,7-9,15H,(H,12,14,16)(H2,17,18,19).
What are the key properties of 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid?
2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid has a molecular weight of 322.19 g/mol, XLogP of -1.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid is sourced from PubChem (CID 68594152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).