3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one

C9H10O6 — CID 45093350

IUPAC3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one
SMILESCC(O)C(=O)c1oc(CO)cc(=O)c1O
InChIInChI=1S/C9H10O6/c1-4(11)7(13)9-8(14)6(12)2-5(3-10)15-9/h2,4,10-11,14H,3H2,1H3
InChIKeyZQHFBCGIRDBHOF-UHFFFAOYSA-N
MW214.17 g/mol
LogP-0.60
Rot. Bonds3

About 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one

3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one (PubChem CID 45093350) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one
PubChem CID45093350
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one
SMILESCC(O)C(=O)c1oc(CO)cc(=O)c1O
InChIInChI=1S/C9H10O6/c1-4(11)7(13)9-8(14)6(12)2-5(3-10)15-9/h2,4,10-11,14H,3H2,1H3
InChIKeyZQHFBCGIRDBHOF-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one (CID 45093350) is 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one is CC(O)C(=O)c1oc(CO)cc(=O)c1O.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one?
The InChIKey is ZQHFBCGIRDBHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-4(11)7(13)9-8(14)6(12)2-5(3-10)15-9/h2,4,10-11,14H,3H2,1H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one?
3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one has a molecular weight of 214.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one is sourced from PubChem (CID 45093350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).