Pyridoxal 5′-phosphate monohydrate

CAS Registry Number®

41468-25-1
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CAS Name

Pyridoxal 5′-phosphate monohydrate

Molecular Formula

C8H10NO6P.H2O

Cite this Page

Pyridoxal 5′-phosphate monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=41468-25-1 (retrieved 2021-12-06) (CAS RN: 41468-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-143 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H10NO6P.H2O/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);1H2

InChIKey

InChIKey=CEEQUQSGVRRXQI-UHFFFAOYSA-N

SMILES

C(OP(=O)(O)O)C=1C(C=O)=C(O)C(C)=NC1.O

Canonical SMILES

O=CC1=C(O)C(=NC=C1COP(=O)(O)O)C.O

Other Names for this Substance

  • 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, hydrate (1:1)
  • 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate
  • Pyridoxal 5′-phosphate monohydrate
  • MC 1