[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid

C10H14FN2O8P — CID 164623527

IUPAC[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid
SMILESC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1OCP(=O)(O)O
InChIInChI=1S/C10H14FN2O8P/c1-4-7(20-3-22(17,18)19)6(14)9(21-4)13-2-5(11)8(15)12-10(13)16/h2,4,6-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t4-,6-,7+,9-/m1/s1
InChIKeyGWCZAGJRMSOWAL-AIKLKQDHSA-N
MW340.20 g/mol
LogP-1.53
Rot. Bonds4

About [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid

[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid (PubChem CID 164623527) has the molecular formula C10H14FN2O8P and a molecular weight of 340.20 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid
PubChem CID164623527
Molecular FormulaC10H14FN2O8P
Molecular Weight340.20 g/mol
Exact Mass340.05
IUPAC Name[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid
SMILESC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1OCP(=O)(O)O
InChIInChI=1S/C10H14FN2O8P/c1-4-7(20-3-22(17,18)19)6(14)9(21-4)13-2-5(11)8(15)12-10(13)16/h2,4,6-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t4-,6-,7+,9-/m1/s1
InChIKeyGWCZAGJRMSOWAL-AIKLKQDHSA-N
XLogP-1.53
TPSA151.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
2-aminoacetic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 67362589
1-[(2R,5R)-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 71684674
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
butyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 168664872
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dodecanoate
CID 102034944
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 59567442
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 160781692
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174150744
1-[(2R,3R,4S,5R)-5-deuterio-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 131708567
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid (CID 164623527) is [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid is C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1OCP(=O)(O)O.
What is the InChIKey of [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid?
The InChIKey is GWCZAGJRMSOWAL-AIKLKQDHSA-N. The full InChI is InChI=1S/C10H14FN2O8P/c1-4-7(20-3-22(17,18)19)6(14)9(21-4)13-2-5(11)8(15)12-10(13)16/h2,4,6-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t4-,6-,7+,9-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid?
[(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid has a molecular weight of 340.20 g/mol, XLogP of -1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-methyloxolan-3-yl]oxymethylphosphonic acid is sourced from PubChem (CID 164623527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).