5'-磷酸吡哆醛

Description

Pyridoxal 5'-phosphate · CAS 54-47-7 · C8H10NO6P. UNII F06SGE49M6. Melting Point: 255; Melting Point: 255 °C; Solubility: 28 mg/mL.

Identification

CAS Registry Number	54-47-7
PubChem CID	1051
Molecular formula	C8H10NO6P
IUPAC name	(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate
UNII (FDA)	F06SGE49M6

Computed Descriptors

Molecular Weight	247.14
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	247.02457404
Monoisotopic Mass	247.02457404
Topological Polar Surface Area	117
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Melting Point	255
Melting Point	255 °C
Solubility	28 mg/mL
LogP	-1.2
LogP	0.37
Collision Cross Section	153.2 Ų [M-2H+Na]-
Collision Cross Section	162.4 Ų [M+Na]+
Collision Cross Section	151.7 Ų [M+H]+
Collision Cross Section	149.4 Ų [M-H]-
Collision Cross Section	150.1 Ų [M-H]-

Physical description & handling notes

• Light yellow powder; [Acros Organics MSDS]
• Solid
• Appreciable
• 153.2 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 160.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 149.4 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Skin conditioning
GHS notification summary	66.7% (4 / 6)

GHS Hazard Classification

GHS notification summary	66.7% (4 / 6)
Reported hazard statements	H319 (33.3%)

Documented Uses

• Used as a vitamin (enzyme cofactor); [Merck Index] The active form of vitamin B6; [ChemIDplus]
• 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-: ACTIVE
• For nutritional supplementation and for treating dietary shortage or imbalance.
• Investigated for use/treatment in coronary artery disease.
• A group of water-soluble vitamins, some of which are COENZYMES.
• A - Alimentary tract and metabolism

Synonyms

pyridoxal phosphate; 54-47-7; Codecarboxylase; pyridoxal 5-phosphate; pyridoxal 5'-phosphate; Pyromijin; Vitazechs; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; Pyridoxyl phosphate; Pyridoxal P; Pidopidon; Biosechs; Hairoxal; Himitan; Pyridoxal-5'-phosphate; Hiadelon

Frequently Asked Questions

What are the CAS number and molecular formula of Pyridoxal 5'-phosphate?

CAS 54-47-7; molecular formula C8H10NO6P; molecular weight — g/mol.

What other names is Pyridoxal 5'-phosphate known by?

pyridoxal phosphate, 54-47-7, Codecarboxylase, pyridoxal 5-phosphate, pyridoxal 5'-phosphate, Pyromijin.

What is the regulatory status of Pyridoxal 5'-phosphate?

Documented regulatory listings: CIR / INCI: Skin conditioning.

Is Pyridoxal 5'-phosphate classified as hazardous?

66.7% of GHS notifications report no hazard classification (4 of 6).

What are the key physical properties of Pyridoxal 5'-phosphate?

Melting Point: 255; Melting Point: 255 °C; Solubility: 28 mg/mL; LogP: -1.2.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.