[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium

C12H18N2O6P+ — CID 142554941

IUPAC[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
SMILESCO[P+](O)(/C=C/C1CCC(n2ccc(=O)[nH]c2=O)O1)OC
InChIInChI=1S/C12H17N2O6P/c1-18-21(17,19-2)8-6-9-3-4-11(20-9)14-7-5-10(15)13-12(14)16/h5-9,11,17H,3-4H2,1-2H3/p+1/b8-6+
InChIKeyUXYPRIZDIYYZOZ-SOFGYWHQSA-O
MW317.26 g/mol
LogP0.78
Rot. Bonds5

About [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium

[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium (PubChem CID 142554941) has the molecular formula C12H18N2O6P+ and a molecular weight of 317.26 g/mol. Its IUPAC name is [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium.

Molecular Properties

Compound Name[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
PubChem CID142554941
Molecular FormulaC12H18N2O6P+
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
SMILESCO[P+](O)(/C=C/C1CCC(n2ccc(=O)[nH]c2=O)O1)OC
InChIInChI=1S/C12H17N2O6P/c1-18-21(17,19-2)8-6-9-3-4-11(20-9)14-7-5-10(15)13-12(14)16/h5-9,11,17H,3-4H2,1-2H3/p+1/b8-6+
InChIKeyUXYPRIZDIYYZOZ-SOFGYWHQSA-O
XLogP0.78
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol
CID 156804182
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[7-[(E)-2-dimethoxyphosphanylethenyl]-1,4-oxazepan-2-yl]pyrimidine-2,4-dione
CID 142619500
1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione
CID 157385494
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
ethane;methoxy-N,N-di(propan-2-yl)phosphonamidous acid;1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
CID 143089389
[2-[(E)-2-dimethoxyphosphorylethenyl]-6-(2,4-dioxopyrimidin-1-yl)oxan-3-yl] benzoate
CID 138530228

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium?
The IUPAC name of [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium (CID 142554941) is [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium.
What is the SMILES notation for [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium?
The canonical SMILES for [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium is CO[P+](O)(/C=C/C1CCC(n2ccc(=O)[nH]c2=O)O1)OC.
What is the InChIKey of [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium?
The InChIKey is UXYPRIZDIYYZOZ-SOFGYWHQSA-O. The full InChI is InChI=1S/C12H17N2O6P/c1-18-21(17,19-2)8-6-9-3-4-11(20-9)14-7-5-10(15)13-12(14)16/h5-9,11,17H,3-4H2,1-2H3/p+1/b8-6+.
What are the key properties of [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium?
[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium has a molecular weight of 317.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium is sourced from PubChem (CID 142554941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).