4-Pyridoxic acid 5'-phosphate
Basic information
- CAS
954-27-8- Standard SMILES
Cc1ncc(COP(=O)(O)O)c(C(=O)O)c1O- InChIKey
FTQNPJLEFOEFIU-UHFFFAOYSA-N- Molecular formula
- C8H10NO7P
- Average molar mass
- 263.14 g/mol
- Monoisotopic mass
- 263.01948866
Overview
used to determine pyridoxal 5'-phosphate in human serum
Names & identifiers
- Preferred name
- 4-Pyridoxic acid 5'-phosphate
- IUPAC
- 3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridine-4-carboxylic acid
- English name
- 4-pyridoxic acid 5'-phosphate
- Molecular formula
- C8H10NO7P
- Molecular weight
- 263.14
Names & synonyms
4-Pyridoxic acid 5'-phosphate954-27-84-PA-5PDTXSID70241822RefChem:100456DTXCID001643133-Hydroxy-2-methyl-5-((phosphonooxy)methyl)isonicotinic acid4-Pyridinecarboxylic acid, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-Pyridoxic Acid 5-PhosphateSCHEMBL60541393-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDINE-4-CARBOXYLIC ACIDP0P
Show more names
(3-hydroxy-5-hydroxymethyl)-2-methylisonicotinic acid 5-phosphate4-Pyridinecarboxylic acid, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-Pyridoxic acid 5-phosphateQ: What is 4-Pyridoxic acid 5-phosphate Q: What is the CAS Number of 4-Pyridoxic acid 5-phosphate
3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridine-4-carboxylic acid
Database identifiers
- CAS
954-27-8- PubChem CID
- 9547950
- DTXSID
DTXSID70241822- Nikkaji
- J855.351C
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 721.6 · 721.6±70.0 °C(Predicted)
- Density
- 1.734 · 1.734±0.06 g/cm3(Predicted)
- pka
- 0.44 · 0.44±0.43(Predicted)
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Compound notes
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