Phosphopantothenic acid

3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoic acid

CAS: 5875-50-3

Molecular Formula	`C9H18NO8P`
Molecular Weight	299.21 g/mol
LogP	-2.2
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	299.077
Heavy Atoms	19
Complexity	376.0

Chemical Identifiers

CAS Number	5875-50-3
SMILES	`CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O`
InChIKey	`XHFVGHPGDLDEQO-ZETCQYMHSA-N`

📖 Product Overview

Phosphopantothenic acid (CAS: 5875-50-3) is a chemical compound with molecular formula C9H18NO8P and molecular weight 299.21 g/mol. Its IUPAC systematic name is 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoic acid. LogP -2.2 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 299.077 Heavy Atoms 19 Complexity 376.0 InChI Key: XHFVGHPGDLDEQO-ZETCQYMHSA-N. SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O.

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