[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid

C11H17N2O5P — CID 123532050

IUPAC[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid
SMILESCC1C(COPO)OC(n2ccc(=O)[nH]c2=O)C1C
InChIInChI=1S/C11H17N2O5P/c1-6-7(2)10(18-8(6)5-17-19-16)13-4-3-9(14)12-11(13)15/h3-4,6-8,10,16,19H,5H2,1-2H3,(H,12,14,15)
InChIKeyHETABFWCHMCAMV-UHFFFAOYSA-N
MW288.24 g/mol
LogP0.22
Rot. Bonds4

About [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid

[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid (PubChem CID 123532050) has the molecular formula C11H17N2O5P and a molecular weight of 288.24 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid
PubChem CID123532050
Molecular FormulaC11H17N2O5P
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid
SMILESCC1C(COPO)OC(n2ccc(=O)[nH]c2=O)C1C
InChIInChI=1S/C11H17N2O5P/c1-6-7(2)10(18-8(6)5-17-19-16)13-4-3-9(14)12-11(13)15/h3-4,6-8,10,16,19H,5H2,1-2H3,(H,12,14,15)
InChIKeyHETABFWCHMCAMV-UHFFFAOYSA-N
XLogP0.22
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4R,5S)-4,5-bis(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 126578655
ethane;1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145193234
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
[(2R,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methyloxolan-2-yl]methyl benzoate
CID 58817189
1-[(2R,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159487979
1-[(2R,3R,4R,5S)-3-fluoro-4-methyl-5-[(2-sulfanylidene-1,3,2λ5-dithiaphospholan-2-yl)oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 157222927
1-[(2S,5S)-3-chloro-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 59891166
1-[(2R,3R,4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 165061315
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
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-(methylsulfanylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22899191

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid (CID 123532050) is [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid is CC1C(COPO)OC(n2ccc(=O)[nH]c2=O)C1C.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid?
The InChIKey is HETABFWCHMCAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O5P/c1-6-7(2)10(18-8(6)5-17-19-16)13-4-3-9(14)12-11(13)15/h3-4,6-8,10,16,19H,5H2,1-2H3,(H,12,14,15).
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid?
[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid has a molecular weight of 288.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxyphosphinous acid is sourced from PubChem (CID 123532050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).