(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one

C7H10O4 — CID 53305122

IUPAC(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one
SMILESCO[C@@H]1C=CC(=O)[C@@H](CO)O1
InChIInChI=1S/C7H10O4/c1-10-7-3-2-5(9)6(4-8)11-7/h2-3,6-8H,4H2,1H3/t6-,7+/m1/s1
InChIKeyNHEULIXZTZKRIB-RQJHMYQMSA-N
MW158.15 g/mol
LogP-0.52
Rot. Bonds2

About (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one

(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one (PubChem CID 53305122) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one
PubChem CID53305122
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one
SMILESCO[C@@H]1C=CC(=O)[C@@H](CO)O1
InChIInChI=1S/C7H10O4/c1-10-7-3-2-5(9)6(4-8)11-7/h2-3,6-8H,4H2,1H3/t6-,7+/m1/s1
InChIKeyNHEULIXZTZKRIB-RQJHMYQMSA-N
XLogP-0.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-2-cyclohexyloxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 137640583
(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
(6R)-6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 142890296

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one?
The IUPAC name of (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one (CID 53305122) is (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one is CO[C@@H]1C=CC(=O)[C@@H](CO)O1.
What is the InChIKey of (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one?
The InChIKey is NHEULIXZTZKRIB-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-7-3-2-5(9)6(4-8)11-7/h2-3,6-8H,4H2,1H3/t6-,7+/m1/s1.
What are the key properties of (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one?
(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one has a molecular weight of 158.15 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one is sourced from PubChem (CID 53305122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).