Basic information
- CAS
524-07-2- Standard SMILES
Cc1ncc(C(=O)O)c(CO)c1O- InChIKey
VJZTVPVXKYQRJZ-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Overview
5-pyridoxic acid is a pyridinemonocarboxylic acid that is pyridine-3-carboxylic acid substituted by a hydroxy group at position 5, hydroxy methyl group at position 4 and a methyl group at position 6. It has a role as a human urinary metabolite. It is a member of methylpyridines, a pyridinemonocarboxylic acid, a monohydroxypyridine and a hydroxymethylpyridine. It is functionally related to a nicotinic acid. It is a conjugate acid of a 5-pyridoxate.
Names & identifiers
- Preferred name
- 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid
- IUPAC
- 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
- English name
- 5-pyridoxic acid
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
5-Pyridoxic acid524-07-25-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acidRDF4ZG9Z7H5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acidCHEBI:16409DTXSID501177128RefChem:103421DTXCID4016084955-hydroxy-4-(hydroxymethyl)-6-methylnicotinic acidUNII-RDF4ZG9Z7HC04773
Show more names
Vitamin B6 Impurity 8Vitamin B6 Impurity 4Pyridoxine Impurity 34Vitamin B6 Impurity 4 Sodium SaltVitamin B6 (Pyridoxine) Impurity 43Vitamin B6 (Pyridoxine) Impurity 43 Sodium salt3-Pyridinecarboxylic acid, 5-hydroxy-4-(hydroxymethyl)-6-methyl-
Pyridoxine impurity 93Vitamin B6 Impurity 86SCHEMBL4405851Q271018905PR
Database identifiers
- CAS
524-07-2
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 282 · 282-283 °C (decomp)(Solv: ethanol (64-17-5))
- Boiling point
- 543.3 · 543.3±50.0 °C(Predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Predicted)
- pka
- 1.89 · 1.89±0.10(Predicted)
- FDA UNII
- 4 ZG9Z7H · RDF4ZG9Z7H
Chemistry & industry
Suppliers19 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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