5-methyl-2H-pyran-2,3,4-triol

C6H8O4 — CID 175968170

IUPAC5-methyl-2H-pyran-2,3,4-triol
SMILESCC1=COC(O)C(O)=C1O
InChIInChI=1S/C6H8O4/c1-3-2-10-6(9)5(8)4(3)7/h2,6-9H,1H3
InChIKeyHQKWCMDLGLKOGR-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.57
Rot. Bonds

About 5-methyl-2H-pyran-2,3,4-triol

5-methyl-2H-pyran-2,3,4-triol (PubChem CID 175968170) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-methyl-2H-pyran-2,3,4-triol.

Molecular Properties

Compound Name5-methyl-2H-pyran-2,3,4-triol
PubChem CID175968170
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name5-methyl-2H-pyran-2,3,4-triol
SMILESCC1=COC(O)C(O)=C1O
InChIInChI=1S/C6H8O4/c1-3-2-10-6(9)5(8)4(3)7/h2,6-9H,1H3
InChIKeyHQKWCMDLGLKOGR-UHFFFAOYSA-N
XLogP0.57
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyran-2,3,4-triol?
The IUPAC name of 5-methyl-2H-pyran-2,3,4-triol (CID 175968170) is 5-methyl-2H-pyran-2,3,4-triol.
What is the SMILES notation for 5-methyl-2H-pyran-2,3,4-triol?
The canonical SMILES for 5-methyl-2H-pyran-2,3,4-triol is CC1=COC(O)C(O)=C1O.
What is the InChIKey of 5-methyl-2H-pyran-2,3,4-triol?
The InChIKey is HQKWCMDLGLKOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-2-10-6(9)5(8)4(3)7/h2,6-9H,1H3.
What are the key properties of 5-methyl-2H-pyran-2,3,4-triol?
5-methyl-2H-pyran-2,3,4-triol has a molecular weight of 144.13 g/mol, XLogP of 0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyran-2,3,4-triol is sourced from PubChem (CID 175968170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).