2H-pyran-2,4,6-triol

C5H6O4 — CID 66669554

IUPAC2H-pyran-2,4,6-triol
SMILESOC1=CC(O)OC(O)=C1
InChIInChI=1S/C5H6O4/c6-3-1-4(7)9-5(8)2-3/h1-2,4,6-8H
InChIKeyGXKACCWFEMNTTI-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.18
Rot. Bonds

About 2H-pyran-2,4,6-triol

2H-pyran-2,4,6-triol (PubChem CID 66669554) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2H-pyran-2,4,6-triol.

Molecular Properties

Compound Name2H-pyran-2,4,6-triol
PubChem CID66669554
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2H-pyran-2,4,6-triol
SMILESOC1=CC(O)OC(O)=C1
InChIInChI=1S/C5H6O4/c6-3-1-4(7)9-5(8)2-3/h1-2,4,6-8H
InChIKeyGXKACCWFEMNTTI-UHFFFAOYSA-N
XLogP0.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,4,6-triol?
The IUPAC name of 2H-pyran-2,4,6-triol (CID 66669554) is 2H-pyran-2,4,6-triol.
What is the SMILES notation for 2H-pyran-2,4,6-triol?
The canonical SMILES for 2H-pyran-2,4,6-triol is OC1=CC(O)OC(O)=C1.
What is the InChIKey of 2H-pyran-2,4,6-triol?
The InChIKey is GXKACCWFEMNTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c6-3-1-4(7)9-5(8)2-3/h1-2,4,6-8H.
What are the key properties of 2H-pyran-2,4,6-triol?
2H-pyran-2,4,6-triol has a molecular weight of 130.10 g/mol, XLogP of 0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,4,6-triol is sourced from PubChem (CID 66669554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).