|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB110024 |
|---|
|
Identification |
|---|
| Name: |
2-pyrone-4,6-dicarboxylate |
|---|
| Description: | A dicarboxylic acid dianion obtained via deprotonation of both carboxy groups of 2-oxo-2H-pyran-4,6-dicarboxylic acid; major species at pH 7.3. |
|---|
|
Structure |
|
|---|
| Synonyms: | -
2-pyrone-4,6-dicarboxylic acid
-
α-pyrone-4,6-dicarboxylate
-
α-pyrone-4,6-dicarboxylic acid
-
2-oxo-2H-pyran-4,6-dicarboxylate
|
|---|
|
Chemical Formula: |
C7H2O6
|
|---|
| Average Molecular Weight: |
182.09 |
|---|
| Monoisotopic Molecular
Weight: |
184.000787861 |
|---|
| InChI Key: |
VRMXCPVFSJVVCA-UHFFFAOYSA-L |
|---|
| InChI: |
InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | 2-oxo-2H-pyran-4,6-dicarboxylate |
|---|
|
Traditional IUPAC Name: |
Not Available |
|---|
| SMILES: | C1(OC(=CC(=C1)C([O-])=O)C([O-])=O)(=O) |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
|
Class |
Pyrans |
|---|
| Sub Class | Pyranones and derivatives |
|---|
|
Direct Parent |
Pyranones and derivatives |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Pyranone
- Dicarboxylic acid or derivatives
- Heteroaromatic compound
- Lactone
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organic anion
- Aromatic heteromonocyclic compound
|
|---|
| Molecular Framework |
Aromatic heteromonocyclic compounds |
|---|
| External Descriptors |
- dicarboxylic acid dianion (CHEBI:58304)
- a small molecule (CPD-184)
|
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | -2 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
Not Available |
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
Not Available |
|---|
|
References |
|---|
| References: |
Not Available |
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
