1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one

C18H21NO6 — CID 77479102

IUPAC1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(CCc2ccccc2)c(O)ccn1C1OC(CO)C(O)C1O
InChIInChI=1S/C18H21NO6/c20-10-14-15(22)16(23)18(25-14)19-9-8-13(21)12(17(19)24)7-6-11-4-2-1-3-5-11/h1-5,8-9,14-16,18,20-23H,6-7,10H2
InChIKeyMRYKGLQYHPUBAZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP-0.05
Rot. Bonds5

About 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one (PubChem CID 77479102) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one
PubChem CID77479102
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(CCc2ccccc2)c(O)ccn1C1OC(CO)C(O)C1O
InChIInChI=1S/C18H21NO6/c20-10-14-15(22)16(23)18(25-14)19-9-8-13(21)12(17(19)24)7-6-11-4-2-1-3-5-11/h1-5,8-9,14-16,18,20-23H,6-7,10H2
InChIKeyMRYKGLQYHPUBAZ-UHFFFAOYSA-N
XLogP-0.05
TPSA112.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 154007050
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-nitropyridin-2-one
CID 54732135
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2-phenylethylamino)pyrimidin-2-one
CID 22838636
3-benzyl-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46875386
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-phenylethyl)pyrimidin-2-one
CID 57036725
4-[benzyl(methyl)amino]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 124891197
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-phenylpyridin-2-one
CID 71463260
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one
CID 54697114
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59243561
1-benzyl-5-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-1-ium-2,4-dione
CID 123637607
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide
CID 42638109

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one (CID 77479102) is 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one is O=c1c(CCc2ccccc2)c(O)ccn1C1OC(CO)C(O)C1O.
What is the InChIKey of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one?
The InChIKey is MRYKGLQYHPUBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c20-10-14-15(22)16(23)18(25-14)19-9-8-13(21)12(17(19)24)7-6-11-4-2-1-3-5-11/h1-5,8-9,14-16,18,20-23H,6-7,10H2.
What are the key properties of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one?
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one has a molecular weight of 347.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 77479102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).