Translations:Pantothenic acid/1/en

Dietary supplement > Vitamin > Pantothenic acid/1/en

Pantothenic acid/1/en

Names
Preferred IUPAC name 3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
Systematic IUPAC name 3-[(2R)-(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid
Identifiers
CAS Number	599-54-2 Y 79-83-4 (R) Y
3D model (JSmol)	Interactive image (R): Interactive image (S): Interactive image
3DMet	B00193
Beilstein Reference	1727062, 1727064 (R)
ChEBI	CHEBI:7916 N
ChEMBL	ChEMBL1594 Y
ChemSpider	963 N 6361 (R) N 4677898 (S) N
DrugBank	DB01783 Y
EC Number	209-965-4
KEGG	D07413 Y
MeSH	Pantothenic+Acid
PubChem CID	988 6613 (R) 5748353 (S)
RTECS number	RU4729000
UNII	66Y94D1203 Y 19F5HK2737 (R) Y
InChI InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) N Key: GHOKWGTUZJEAQD-UHFFFAOYSA-N N
SMILES CC(C)(CO)C(C(=O)NCCC(=O)O)O (R): CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O (S): CC(C)(CO)[C@@H](C(=O)NCCC(=O)O)O
Properties
Chemical formula	C9H17NO5
Molar mass	219.237 g·mol−1
Appearance	Yellow oil Colorless crystals (Ca2+ salt)
Odor	Odorless
Density	1.266 g/cm3 1.32 g/cm3 (Ca2+ salt)
Melting point	183.833 °C (362.899 °F; 456.983 K) 196–200 °C (385–392 °F; 469–473 K) decomposes (Ca2+ salt)
Solubility in water	Very soluble
Solubility	Very soluble in C6H6, ether
log P	−1.416
Acidity (pKa)	4.41
Basicity (pKb)	9.698
Chiral rotation ([α]D)	+37.5° +24.3° (Ca2+ salt)
Hazards
NFPA 704 (fire diamond)	2 1 0
Lethal dose or concentration (LD, LC):
LD50 (median dose)	> 10 mg/g (Ca2+ salt)
Related compounds
Related alkanoic acids	Arginine Hopantenic acid 4-(γ-Glutamylamino)butanoic acid
Related compounds	Panthenol