chempirical

Pyridoxal phosphate

C8H10NO6PCAS 54-47-7247.14 g/mol

Open in Covalent MOL file
NOPOOHOHOHO
AldehydePhenolPhosphate

Properties

Molecular formula
C8H10NO6P
Molar mass
247.14 g/mol
Exact mass
247.0246 Da
Melting point
255 °C
logP
0.52Crippen estimate
Polar surface area
117.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
54-47-7
SMILES
Cc1ncc(COP(=O)(O)O)c(C=O)c1O
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

36 names · show all
  • 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-
  • Pyridoxal, 5-(dihydrogen phosphate)
  • 3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde
  • Codecarboxylase
  • 2-Methyl-3-hydroxy-4-formyl-5-pyridylmethylphosphoric acid
  • Phosphopyridoxal
  • Phosphopyridoxal coenzyme
  • PLP
  • Pyridoxal 5-phosphate
  • Pyridoxal 5′-phosphate
  • Vitamin B6 phosphate (ester)
  • Pyridoxaldehyde phosphate
  • Pyridoxal P
  • PAL-P
  • Pyridoxal monophosphate
  • Pyridoxal 5-monophosphoric acid ester
  • 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate
  • Pyromijin
  • Sechvitan
  • Vitazechs
  • Pyridoxyl phosphate
  • Apolon B6
  • Hairoxal
  • Hiadelon
  • Biosechs
  • Hi-pyridoxin
  • Vitahexin P
  • Piodel
  • Pydoxal
  • Hexermin P
  • Coenzyme B6
  • Vitamin B6 phosphate
  • NSC 82388
  • [(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
  • (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
  • Pyridoxal 5'-phosphate

Work with Pyridoxal phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyridoxal 5′-phosphate monohydrate41468-25-1Hydrate

Similar compounds

Pyridoxal hydrochloride65-22-556 % similar Vitamin B68059-24-348 % similar Pyridoxine65-23-637 % similar 4-Deoxypyridoxine148-51-635 % similar Pyridoxine hydrochloride58-56-035 % similar Pyritinol1098-97-134 % similar Pyritinol hydrochloride10049-83-932 % similar 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride524-36-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia