(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one

C6H8O4 — CID 142890296

IUPAC(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one
SMILESO=C1C=CCO[C@]1(O)CO
InChIInChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2/t6-/m1/s1
InChIKeyFUJVJJBVXLPRQJ-ZCFIWIBFSA-N
MW144.13 g/mol
LogP-1.18
Rot. Bonds1

About (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one

(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one (PubChem CID 142890296) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one
PubChem CID142890296
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one
SMILESO=C1C=CCO[C@]1(O)CO
InChIInChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2/t6-/m1/s1
InChIKeyFUJVJJBVXLPRQJ-ZCFIWIBFSA-N
XLogP-1.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Microthecin
CID 10130020
3,4-Dideoxyglucosone-3-ene
CID 15485370
(2S,6R)-2-ethoxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 11367256
Cortalcerone
CID 162894
2-(hydroxymethyl)-6-(2-propynyloxy)-2H-pyran-3(6H)-one
CID 10797494
(2S,6R)-6-(hydroxymethyl)-2-isopropoxy-2H-pyran-5-one
CID 54585249
(2S,6R)-6-(hydroxymethyl)-2-prop-2-enoxy-2H-pyran-5-one
CID 137635065
(2S,6R)-2-but-3-ynoxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 137638531
(2S,6R)-6-(hydroxymethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2H-pyran-5-one
CID 137648350
(2S,6R)-2-cyclopentyloxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 137659847
(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one
CID 53305122
(2S,6R)-6-(hydroxymethyl)-2-isobutoxy-2H-pyran-5-one
CID 53305124

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one?
The IUPAC name of (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one (CID 142890296) is (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one.
What is the SMILES notation for (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one?
The canonical SMILES for (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one is O=C1C=CCO[C@]1(O)CO.
What is the InChIKey of (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one?
The InChIKey is FUJVJJBVXLPRQJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2/t6-/m1/s1.
What are the key properties of (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one?
(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one has a molecular weight of 144.13 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one is sourced from PubChem (CID 142890296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).