(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate

C10H12N2O8 — CID 91571819

IUPAC(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
SMILESO=C(On1ccc(=O)[nH]c1=O)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H12N2O8/c13-3-4-6(15)7(16)8(19-4)9(17)20-12-2-1-5(14)11-10(12)18/h1-2,4,6-8,13,15-16H,3H2,(H,11,14,18)/t4-,6-,7-,8?/m1/s1
InChIKeyZSRUZTINJDZLOA-ZRTZXPPTSA-N
MW288.21 g/mol
LogP-4.03
Rot. Bonds3

About (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate

(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate (PubChem CID 91571819) has the molecular formula C10H12N2O8 and a molecular weight of 288.21 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
PubChem CID91571819
Molecular FormulaC10H12N2O8
Molecular Weight288.21 g/mol
Exact Mass288.06
IUPAC Name(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
SMILESO=C(On1ccc(=O)[nH]c1=O)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H12N2O8/c13-3-4-6(15)7(16)8(19-4)9(17)20-12-2-1-5(14)11-10(12)18/h1-2,4,6-8,13,15-16H,3H2,(H,11,14,18)/t4-,6-,7-,8?/m1/s1
InChIKeyZSRUZTINJDZLOA-ZRTZXPPTSA-N
XLogP-4.03
TPSA151.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 5-4.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate with MolForge

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Related Compounds

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-[(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-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
CID 70523066
CID 70523066
1-[(2R,3R,4S,5R)-2-deuterio-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487529
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;dioxovanadium
CID 87329408
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 23616153
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 157236336
[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 170319167
1-[(3S)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 171699529

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate?
The IUPAC name of (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate (CID 91571819) is (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate is O=C(On1ccc(=O)[nH]c1=O)C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate?
The InChIKey is ZSRUZTINJDZLOA-ZRTZXPPTSA-N. The full InChI is InChI=1S/C10H12N2O8/c13-3-4-6(15)7(16)8(19-4)9(17)20-12-2-1-5(14)11-10(12)18/h1-2,4,6-8,13,15-16H,3H2,(H,11,14,18)/t4-,6-,7-,8?/m1/s1.
What are the key properties of (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate?
(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate has a molecular weight of 288.21 g/mol, XLogP of -4.03, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate is sourced from PubChem (CID 91571819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).