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

C10H13NO4 — CID 14427742

IUPAC1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C10H13NO4/c12-6-9-8(14)5-10(15-9)11-3-1-7(13)2-4-11/h1-4,8-10,12,14H,5-6H2/t8-,9+,10+/m0/s1
InChIKeyPMZDNLISFGRAQB-IVZWLZJFSA-N
MW211.22 g/mol
LogP-0.51
Rot. Bonds2

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

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 14427742) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID14427742
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C10H13NO4/c12-6-9-8(14)5-10(15-9)11-3-1-7(13)2-4-11/h1-4,8-10,12,14H,5-6H2/t8-,9+,10+/m0/s1
InChIKeyPMZDNLISFGRAQB-IVZWLZJFSA-N
XLogP-0.51
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (CID 14427742) is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)cc1.
What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is PMZDNLISFGRAQB-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H13NO4/c12-6-9-8(14)5-10(15-9)11-3-1-7(13)2-4-11/h1-4,8-10,12,14H,5-6H2/t8-,9+,10+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 211.22 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 14427742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).