5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione

C11H15NO6 — CID 155906560

IUPAC5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione
SMILESCC1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O
InChIInChI=1S/C11H15NO6/c1-4-2-5(11(17)12-10(4)16)9-8(15)7(14)6(3-13)18-9/h2,4,6-9,13-15H,3H2,1H3,(H,12,16,17)/t4?,6-,7-,8-,9+/m1/s1
InChIKeyOYTVCAGSWWRUII-DWJKKKFUSA-N
MW257.24 g/mol
LogP-2.31
Rot. Bonds2

About 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione

5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione (PubChem CID 155906560) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione
PubChem CID155906560
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione
SMILESCC1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O
InChIInChI=1S/C11H15NO6/c1-4-2-5(11(17)12-10(4)16)9-8(15)7(14)6(3-13)18-9/h2,4,6-9,13-15H,3H2,1H3,(H,12,16,17)/t4?,6-,7-,8-,9+/m1/s1
InChIKeyOYTVCAGSWWRUII-DWJKKKFUSA-N
XLogP-2.31
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-2.31
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

5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl-3H-pyridine-2,6-dione
CID 129263624
5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
CID 118005201
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyridin-2-one
CID 118004766
2-amino-7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4aH-pyrrolo[3,2-d]pyrimidin-4-one
CID 90663702
(3R,4aR,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-3-methyl-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
CID 160549941
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
5-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
CID 168992818
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 122130033
3-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 20716750

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione (CID 155906560) is 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione is CC1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O.
What is the InChIKey of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione?
The InChIKey is OYTVCAGSWWRUII-DWJKKKFUSA-N. The full InChI is InChI=1S/C11H15NO6/c1-4-2-5(11(17)12-10(4)16)9-8(15)7(14)6(3-13)18-9/h2,4,6-9,13-15H,3H2,1H3,(H,12,16,17)/t4?,6-,7-,8-,9+/m1/s1.
What are the key properties of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione?
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione has a molecular weight of 257.24 g/mol, XLogP of -2.31, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 155906560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).