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21210 Sigma-Aldrich

D-Pantothenic acid hemicalcium salt

≥98.0%

Synonym: (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine hemicalcium salt, Calcium D-pantothenate, Vitamin B5

  • CAS Number 137-08-6

  • Linear Formula HOCH2C(CH3)2CH(OH)CONHCH2CH2CO2 ·1/2Ca

  • Molecular Weight 238.27

  •  Beilstein/REAXYS Number 3769272

  •  EC Number 205-278-9

  •  MDL number MFCD00002766

  •  eCl@ss 34058012

  •  PubChem Substance ID 57647913

  •  NACRES NA.79

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Properties

Related Categories Asymmetric Synthesis, Biochemicals and Reagents, Carboxylic Acid Salts, Chemical Synthesis, Chiral Building Blocks,
Quality Level   200
biological source   synthetic
assay   ≥98.0%
form   powder or crystals
optical activity   [α]20/D +27±2°, c = 5% in H2O
impurities   ≤0.002% heavy metals
loss   ≤3% loss on drying
color   white
pH   6.8-7.2 (25 °C, 50 mg/mL in H2O)
solubility   H2O: 50 mg/mL at 25 °C, clear, almost colorless
storage temp.   room temp
SMILES string   CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
InChI   1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
InChI key   FAPWYRCQGJNNSJ-UBKPKTQASA-L

Description

General description

D-Pantothenic acid hemicalcium salt, also referred as calcium D-pantothenate, is a water soluble B complex vitamin. It is present in a variety of foods.

Application

D-Pantothenic acid hemicalcium salt has been used as a supplement in complete media to culture Aspergillus-nidulans.

Precursor in the biosynthesis of coenzyme A.

Biochem/physiol Actions

D-Panthenol is the alcohol analog and biological precursor of D-pantothenic acid. These analogs are precursors in the biosynthesis of the phosphopantetheine moiety of coenzyme A. D-Panthenol and D-Pantothenic acid are used in a variety of skin protection products. D-pantothenic acid may have a role in controlling keratinocyte proliferation and differentiation. D-Panthenol may be used for studies of skin protection emulsions from UV irradiation and as a humectant. D-pantothenic acid is crucial for normal epithelial function. It facilitates wound healing process.

Physical properties

Due to the unstable, hygroscopic nature of the free acid, the calcium salt is employed.

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 1
RTECS 
RU4375000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

MSMLS Online Plate Map

Metabolite descriptors included with the software download upon purchase of the product include: Name, Parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Subst...
Keywords: Mass spectrometry, Metabolites

Peer-Reviewed Papers
15

References

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