[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium

C11H16N2O8P+ — CID 123529218

IUPAC[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium
SMILESCC1(O)CC(C(=O)C[P+](O)(O)O)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N2O8P/c1-11(17)4-7(6(14)5-22(18,19)20)21-9(11)13-3-2-8(15)12-10(13)16/h2-3,7,9,17-20H,4-5H2,1H3/p+1
InChIKeyJRWBCXNFYIXVFG-UHFFFAOYSA-O
MW335.23 g/mol
LogP-2.12
Rot. Bonds4

About [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium

[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium (PubChem CID 123529218) has the molecular formula C11H16N2O8P+ and a molecular weight of 335.23 g/mol. Its IUPAC name is [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium
PubChem CID123529218
Molecular FormulaC11H16N2O8P+
Molecular Weight335.23 g/mol
Exact Mass335.06
IUPAC Name[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium
SMILESCC1(O)CC(C(=O)C[P+](O)(O)O)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N2O8P/c1-11(17)4-7(6(14)5-22(18,19)20)21-9(11)13-3-2-8(15)12-10(13)16/h2-3,7,9,17-20H,4-5H2,1H3/p+1
InChIKeyJRWBCXNFYIXVFG-UHFFFAOYSA-O
XLogP-2.12
TPSA162.08 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S,5R)-4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70457581
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
1-[(1S,2R,4R,5S)-1,5-dihydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
CID 23624086
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
1-[(5S)-5-(dihydroxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163855944
2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 135122046
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 134454244
1-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163602182
1-[(2R,4S)-5-(hydroxymethyl)-3,3,4-trimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 154999119
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] dihydrogen phosphate
CID 14981854
1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118327336

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium?
The IUPAC name of [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium (CID 123529218) is [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium.
What is the SMILES notation for [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium?
The canonical SMILES for [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium is CC1(O)CC(C(=O)C[P+](O)(O)O)OC1n1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium?
The InChIKey is JRWBCXNFYIXVFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N2O8P/c1-11(17)4-7(6(14)5-22(18,19)20)21-9(11)13-3-2-8(15)12-10(13)16/h2-3,7,9,17-20H,4-5H2,1H3/p+1.
What are the key properties of [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium?
[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium has a molecular weight of 335.23 g/mol, XLogP of -2.12, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium is sourced from PubChem (CID 123529218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).