5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione

C10H13NO6 — CID 159015800

IUPAC5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione
SMILESO=C1CC=C(C2OCC(O)C(O)C2O)C(=O)N1
InChIInChI=1S/C10H13NO6/c12-5-3-17-9(8(15)7(5)14)4-1-2-6(13)11-10(4)16/h1,5,7-9,12,14-15H,2-3H2,(H,11,13,16)
InChIKeyJTBOZXUEZQGSCH-UHFFFAOYSA-N
MW243.21 g/mol
LogP-2.56
Rot. Bonds1

About 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione

5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione (PubChem CID 159015800) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione
PubChem CID159015800
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione
SMILESO=C1CC=C(C2OCC(O)C(O)C2O)C(=O)N1
InChIInChI=1S/C10H13NO6/c12-5-3-17-9(8(15)7(5)14)4-1-2-6(13)11-10(4)16/h1,5,7-9,12,14-15H,2-3H2,(H,11,13,16)
InChIKeyJTBOZXUEZQGSCH-UHFFFAOYSA-N
XLogP-2.56
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 131876492
5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-3H-pyridine-2,6-dione
CID 158702414
5-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-3H-pyridine-2,6-dione
CID 161221879
1-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-1,2,4-triazinane-3,5-dione
CID 10610478
(3S,4S,5S)-2-pyrimidin-2-yloxane-3,4,5-triol
CID 67687388
(2S,3R,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol
CID 67687389
1-[5-[(2S,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrol-3-yl]ethanone
CID 10867963
7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
CID 175827998
5-hydroxy-2-sulfanylidene-5-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]imidazolidin-4-one
CID 54525458
5-[(2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-methylidene-3H-pyridin-6-one
CID 160629625
2-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-1,7-dihydropurin-6-one
CID 137224685
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione?
The IUPAC name of 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione (CID 159015800) is 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione.
What is the SMILES notation for 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione?
The canonical SMILES for 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione is O=C1CC=C(C2OCC(O)C(O)C2O)C(=O)N1.
What is the InChIKey of 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione?
The InChIKey is JTBOZXUEZQGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-5-3-17-9(8(15)7(5)14)4-1-2-6(13)11-10(4)16/h1,5,7-9,12,14-15H,2-3H2,(H,11,13,16).
What are the key properties of 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione?
5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione has a molecular weight of 243.21 g/mol, XLogP of -2.56, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-trihydroxyoxan-2-yl)-3H-pyridine-2,6-dione is sourced from PubChem (CID 159015800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).