[5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate

C11H17FN2O11P2 — CID 123155673

IUPAC[5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESCCOC1(COP(=O)(O)OP(=O)(O)O)CC(F)C(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C11H17FN2O11P2/c1-2-22-11(6-23-27(20,21)25-26(17,18)19)5-7(12)9(24-11)14-4-3-8(15)13-10(14)16/h3-4,7,9H,2,5-6H2,1H3,(H,20,21)(H,13,15,16)(H2,17,18,19)
InChIKeyITZOYZCIASKOOJ-UHFFFAOYSA-N
MW434.21 g/mol
LogP-0.25
Rot. Bonds8

About [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate

[5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate (PubChem CID 123155673) has the molecular formula C11H17FN2O11P2 and a molecular weight of 434.21 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate
PubChem CID123155673
Molecular FormulaC11H17FN2O11P2
Molecular Weight434.21 g/mol
Exact Mass434.03
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESCCOC1(COP(=O)(O)OP(=O)(O)O)CC(F)C(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C11H17FN2O11P2/c1-2-22-11(6-23-27(20,21)25-26(17,18)19)5-7(12)9(24-11)14-4-3-8(15)13-10(14)16/h3-4,7,9H,2,5-6H2,1H3,(H,20,21)(H,13,15,16)(H2,17,18,19)
InChIKeyITZOYZCIASKOOJ-UHFFFAOYSA-N
XLogP-0.25
TPSA186.61 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate 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

[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 71621354
[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 126759269
[[(1R,3R,4R,7S)-3-(2,4-dioxopyrimidin-1-yl)-6,6-difluoro-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 90125303
[(1R,3R,4R,5R)-3-(2,4-dioxopyrimidin-1-yl)-1-ethyl-4-fluoro-5-hydroxy-2-oxabicyclo[3.1.0]hexan-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 155070087
[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,3-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 144948869
[dideuterio-[(2R,4R,5R)-5-deuterio-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-4-hydroxyoxolan-2-yl]methyl] phosphono hydrogen phosphate
CID 160997388
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethenyl-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 121245855
[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 25323044
[[(2R,3R,4R,5R)-2-(diazenylmethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 126723894
[[5-(2,4-dioxopyrimidin-1-yl)-2-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
CID 123936728
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-methyloxolan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 25006016
[[(2R,3S,5R)-4-azido-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 134603319

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate (CID 123155673) is [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate is CCOC1(COP(=O)(O)OP(=O)(O)O)CC(F)C(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate?
The InChIKey is ITZOYZCIASKOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O11P2/c1-2-22-11(6-23-27(20,21)25-26(17,18)19)5-7(12)9(24-11)14-4-3-8(15)13-10(14)16/h3-4,7,9H,2,5-6H2,1H3,(H,20,21)(H,13,15,16)(H2,17,18,19).
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate?
[5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate has a molecular weight of 434.21 g/mol, XLogP of -0.25, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxopyrimidin-1-yl)-2-ethoxy-4-fluorooxolan-2-yl]methyl phosphono hydrogen phosphate is sourced from PubChem (CID 123155673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).