pantothenic acid

3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

CAS: 79-83-4

Molecular Formula	`C9H17NO5`
Molecular Weight	219.23 g/mol
LogP	-1.1
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	219.11067
Heavy Atoms	15
Complexity	239.0

Chemical Identifiers

CAS Number	79-83-4
SMILES	`CC(C)(CO)C(C(=O)NCCC(=O)O)O`
InChIKey	`GHOKWGTUZJEAQD-ZETCQYMHSA-N`

📖 Product Overview

pantothenic acid (CAS: 79-83-4) is a chemical compound with molecular formula C9H17NO5 and molecular weight 219.23 g/mol. Its IUPAC systematic name is 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid. LogP -1.1 Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 219.11067 Heavy Atoms 15 Complexity 239.0 InChI Key: GHOKWGTUZJEAQD-ZETCQYMHSA-N. SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O.

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