2-hydroxy-2H-pyran-4,6-dicarboxylate

C7H4O6-2 — CID 25203591

IUPAC2-hydroxy-2H-pyran-4,6-dicarboxylate
SMILESO=C([O-])C1=CC(O)OC(C(=O)[O-])=C1
InChIInChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)/p-2
InChIKeyMLOJGZHQNWCBAC-UHFFFAOYSA-L
MW184.10 g/mol
LogP-3.35
Rot. Bonds2

About 2-hydroxy-2H-pyran-4,6-dicarboxylate

2-hydroxy-2H-pyran-4,6-dicarboxylate (PubChem CID 25203591) has the molecular formula C7H4O6-2 and a molecular weight of 184.10 g/mol. Its IUPAC name is 2-hydroxy-2H-pyran-4,6-dicarboxylate.

Molecular Properties

Compound Name2-hydroxy-2H-pyran-4,6-dicarboxylate
PubChem CID25203591
Molecular FormulaC7H4O6-2
Molecular Weight184.10 g/mol
Exact Mass184.00
IUPAC Name2-hydroxy-2H-pyran-4,6-dicarboxylate
SMILESO=C([O-])C1=CC(O)OC(C(=O)[O-])=C1
InChIInChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)/p-2
InChIKeyMLOJGZHQNWCBAC-UHFFFAOYSA-L
XLogP-3.35
TPSA109.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 5-3.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2H-pyran-4,6-dicarboxylate?
The IUPAC name of 2-hydroxy-2H-pyran-4,6-dicarboxylate (CID 25203591) is 2-hydroxy-2H-pyran-4,6-dicarboxylate.
What is the SMILES notation for 2-hydroxy-2H-pyran-4,6-dicarboxylate?
The canonical SMILES for 2-hydroxy-2H-pyran-4,6-dicarboxylate is O=C([O-])C1=CC(O)OC(C(=O)[O-])=C1.
What is the InChIKey of 2-hydroxy-2H-pyran-4,6-dicarboxylate?
The InChIKey is MLOJGZHQNWCBAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)/p-2.
What are the key properties of 2-hydroxy-2H-pyran-4,6-dicarboxylate?
2-hydroxy-2H-pyran-4,6-dicarboxylate has a molecular weight of 184.10 g/mol, XLogP of -3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2H-pyran-4,6-dicarboxylate is sourced from PubChem (CID 25203591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).