3-hydroxy-4-oxopyran-2,6-dicarboxylic acid

C7H4O7 — CID 10347

IUPAC3-hydroxy-4-oxopyran-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)
InChIKeyZEGRKMXCOCRTCS-UHFFFAOYSA-N
MW200.10 g/mol
LogP-0.26
Rot. Bonds2

About 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid

3-hydroxy-4-oxopyran-2,6-dicarboxylic acid (PubChem CID 10347) has the molecular formula C7H4O7 and a molecular weight of 200.10 g/mol. Its IUPAC name is 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxopyran-2,6-dicarboxylic acid
PubChem CID10347
Molecular FormulaC7H4O7
Molecular Weight200.10 g/mol
Exact Mass200.00
IUPAC Name3-hydroxy-4-oxopyran-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)
InChIKeyZEGRKMXCOCRTCS-UHFFFAOYSA-N
XLogP-0.26
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 15578402
calcium 6-carboxy-5-oxido-4-oxopyran-2-carboxylate
CID 54686185
5,6-dihydroxy-4-oxochromene-2-carboxylic acid
CID 18546047
ditert-butyl 3-hydroxy-4-oxopyran-2,6-dicarboxylate
CID 3010948
6-carbamoyl-4-oxopyran-2-carboxylic acid;hydrate
CID 52987834
(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid
CID 139338173
3-(2,2-dimethylpropyl)furan-2,5-dicarboxylic acid
CID 154504727
6,7-difluoro-4-oxochromene-2-carboxylic acid
CID 11974463
furan-2,5-dicarboxylic acid;indigane
CID 174700126
4-oxo-5-sulfanylchromene-2-carboxylic acid
CID 13230877
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
6-(2-carboxy-4-oxochromene-6-carbonyl)-4-oxochromene-2-carboxylic acid
CID 154092450

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid?
The IUPAC name of 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid (CID 10347) is 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid is O=C(O)c1cc(=O)c(O)c(C(=O)O)o1.
What is the InChIKey of 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid?
The InChIKey is ZEGRKMXCOCRTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13).
What are the key properties of 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid?
3-hydroxy-4-oxopyran-2,6-dicarboxylic acid has a molecular weight of 200.10 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid is sourced from PubChem (CID 10347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).