2H-pyran-5,6-dicarboxylic acid

C7H6O5 — CID 67685106

IUPAC2H-pyran-5,6-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)OCC=C1
InChIInChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKeyHUQLYIXNYHVIRD-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.00
Rot. Bonds2

About 2H-pyran-5,6-dicarboxylic acid

2H-pyran-5,6-dicarboxylic acid (PubChem CID 67685106) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2H-pyran-5,6-dicarboxylic acid.

Molecular Properties

Compound Name2H-pyran-5,6-dicarboxylic acid
PubChem CID67685106
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name2H-pyran-5,6-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)OCC=C1
InChIInChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKeyHUQLYIXNYHVIRD-UHFFFAOYSA-N
XLogP-0.00
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Chorismic Acid
CID 12039
alpha-Pyrone-4,6-dicarboxylic acid
CID 372
3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
CID 5460312
4-Carboxy-2-hydroxymuconate semialdehyde hemiacetal
CID 440647
4-methyl-2-oxo-2H-pyran-6-carboxylic acid
CID 2739563
Alcanivorone
CID 10353048
2-hydroxy-2H-pyran-4,6-dicarboxylate
CID 25203591
3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
CID 306
Iso-arabidopaldehyde
CID 102515091
Iso-arabidopyl alcohol
CID 102515144
Iso-arabidopate
CID 102515465
4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate
CID 102515512

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-5,6-dicarboxylic acid?
The IUPAC name of 2H-pyran-5,6-dicarboxylic acid (CID 67685106) is 2H-pyran-5,6-dicarboxylic acid.
What is the SMILES notation for 2H-pyran-5,6-dicarboxylic acid?
The canonical SMILES for 2H-pyran-5,6-dicarboxylic acid is O=C(O)C1=C(C(=O)O)OCC=C1.
What is the InChIKey of 2H-pyran-5,6-dicarboxylic acid?
The InChIKey is HUQLYIXNYHVIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11).
What are the key properties of 2H-pyran-5,6-dicarboxylic acid?
2H-pyran-5,6-dicarboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-5,6-dicarboxylic acid is sourced from PubChem (CID 67685106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).