(2S)-2-hydroxy-2H-pyran-5-one

C5H6O3 — CID 13011784

IUPAC(2S)-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=C[C@@H](O)OC1
InChIInChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-2,5,7H,3H2/t5-/m0/s1
InChIKeyBOABLGZTHBBHPW-YFKPBYRVSA-N
MW114.10 g/mol
LogP-0.54
Rot. Bonds

About (2S)-2-hydroxy-2H-pyran-5-one

(2S)-2-hydroxy-2H-pyran-5-one (PubChem CID 13011784) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is (2S)-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2H-pyran-5-one
PubChem CID13011784
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(2S)-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=C[C@@H](O)OC1
InChIInChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-2,5,7H,3H2/t5-/m0/s1
InChIKeyBOABLGZTHBBHPW-YFKPBYRVSA-N
XLogP-0.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dideoxyglucosone-3-ene
CID 15485370
6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
6-methoxy-3,6-dihydro-2H-pyran-3-one
CID 13011785
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
6-Hydroxy-6-methylpyran-3-one
CID 14827349
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
(2R)-2-hydroxy-2H-pyran-5-one
CID 18649696
2-Hydroxy-6-hydroxymethyl-3(2h,6h)-pyranone
CID 22976356
L-aculose
CID 71407800
4-bromo-2-hydroxy-2H-pyran-5-one
CID 20468600
(6R)-6-methoxy-2H-pyran-5-one
CID 11768582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (2S)-2-hydroxy-2H-pyran-5-one (CID 13011784) is (2S)-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (2S)-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (2S)-2-hydroxy-2H-pyran-5-one is O=C1C=C[C@@H](O)OC1.
What is the InChIKey of (2S)-2-hydroxy-2H-pyran-5-one?
The InChIKey is BOABLGZTHBBHPW-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-2,5,7H,3H2/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2H-pyran-5-one?
(2S)-2-hydroxy-2H-pyran-5-one has a molecular weight of 114.10 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 13011784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).