1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one

C16H17NO6 — CID 71452570

IUPAC1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one
SMILESO=c1c(-c2ccccc2)c(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H17NO6/c18-8-11-13(20)14(21)16(23-11)17-7-6-10(19)12(15(17)22)9-4-2-1-3-5-9/h1-7,11,13-14,16,18-21H,8H2/t11-,13-,14-,16-/m1/s1
InChIKeyVXNAYNNSXKZXEK-XKVFNRALSA-N
MW319.31 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one (PubChem CID 71452570) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one
PubChem CID71452570
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one
SMILESO=c1c(-c2ccccc2)c(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H17NO6/c18-8-11-13(20)14(21)16(23-11)17-7-6-10(19)12(15(17)22)9-4-2-1-3-5-9/h1-7,11,13-14,16,18-21H,8H2/t11-,13-,14-,16-/m1/s1
InChIKeyVXNAYNNSXKZXEK-XKVFNRALSA-N
XLogP-0.17
TPSA112.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one?
The IUPAC name of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one (CID 71452570) is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one?
The canonical SMILES for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one is O=c1c(-c2ccccc2)c(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one?
The InChIKey is VXNAYNNSXKZXEK-XKVFNRALSA-N. The full InChI is InChI=1S/C16H17NO6/c18-8-11-13(20)14(21)16(23-11)17-7-6-10(19)12(15(17)22)9-4-2-1-3-5-9/h1-7,11,13-14,16,18-21H,8H2/t11-,13-,14-,16-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one?
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one has a molecular weight of 319.31 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-phenylpyridin-2-one is sourced from PubChem (CID 71452570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).