(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid

C9H8N2O6 — CID 163397831

IUPAC(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid
SMILESO=C(O)C1=C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H8N2O6/c12-4-3-5(8(14)15)17-7(4)11-2-1-6(13)10-9(11)16/h1-4,7,12H,(H,14,15)(H,10,13,16)/t4-,7-/m1/s1
InChIKeyJIENFEOBYHFWRS-CLZZGJSISA-N
MW240.17 g/mol
LogP-1.61
Rot. Bonds2

About (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid

(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid (PubChem CID 163397831) has the molecular formula C9H8N2O6 and a molecular weight of 240.17 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid
PubChem CID163397831
Molecular FormulaC9H8N2O6
Molecular Weight240.17 g/mol
Exact Mass240.04
IUPAC Name(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid
SMILESO=C(O)C1=C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H8N2O6/c12-4-3-5(8(14)15)17-7(4)11-2-1-6(13)10-9(11)16/h1-4,7,12H,(H,14,15)(H,10,13,16)/t4-,7-/m1/s1
InChIKeyJIENFEOBYHFWRS-CLZZGJSISA-N
XLogP-1.61
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R)-2-[(1S)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 139583518
(2S,3S,4S)-2-[(1R)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 162900232
1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 25189339
1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione
CID 52916687
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
(2S,3S,4S,5R,6R)-6-(2,4-dioxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxamide
CID 131877386
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione
CID 163773061

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid (CID 163397831) is (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid is O=C(O)C1=C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid?
The InChIKey is JIENFEOBYHFWRS-CLZZGJSISA-N. The full InChI is InChI=1S/C9H8N2O6/c12-4-3-5(8(14)15)17-7(4)11-2-1-6(13)10-9(11)16/h1-4,7,12H,(H,14,15)(H,10,13,16)/t4-,7-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid?
(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid has a molecular weight of 240.17 g/mol, XLogP of -1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid is sourced from PubChem (CID 163397831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).