2,4,7-Trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid CAS 918476-94-5
| CAS No. | 918476-94-5 |
| Molecular Formula | C8H5N3O5 |
| Molecular Weight | 223.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2,4,7-Trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CAS 918476-94-5) is a high-purity analytical reference standard with the molecular formula C8H5N3O5 and a molecular weight of 223.14 g/mol.
Structurally, 2,4,7-Trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid (C8H5N3O5) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 223.14 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C8H5N3O5 |
| Molecular Weight | 223.14 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
Related Trioxo Standards
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- 1-Methyl-2,4,7-trioxo-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-5-carboxylic acid (CAS 941236-24-4)
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Recommended Standards
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- 2-Fluoro-5-(pentafluoro-l6-sulfaneyl)pyridine (CAS 1982380-83-5)
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- 5-Fluoro-2-(trifluoromethyl)benzamide (CAS 654-95-5)
- 1-desoxymethylsphinganine (CAS 1219484-98-6)
- 2-amino-6-methylpyridine-4-carbonitrile (CAS 1264052-09-6)
- 1-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)propan-1-amine (CAS 1155955-67-1)
- Bromo-PEG2-MS (CAS 1935075-34-5)
- benzyl (4S)-4-methyl-2,2-dioxo-oxathiazolidine-3-carboxylate (CAS 1007121-72-3)
- 3-(4-Chlorophenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid (CAS 400079-76-7)
- (4-(Difluoromethyl)-3-(trifluoromethyl)pyridin-2-yl)methanol (CAS 1806818-11-0)
- Acetyl Dipeptide-1 (CAS 196604-48-5)
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