(S)-3-Hydroxy-2-methylpropionic acid sodium salt - CAS 1893416-17-5

Catalog:	BB054224
Product Name:	(S)-3-Hydroxy-2-methylpropionic acid sodium salt
CAS:	1893416-17-5
Synonyms:	S-3-Hydroxyisobutyric acid sodium salt; Sodium (S)-3-hydroxy-2-methylpropanoate; Sodium (S)-3-hydroxyisobutyrate; Sodium (S)-beta-hydroxyisobutyrate; S-HIBA; (S)-β-Hydroxy-isobutyric acid sodium salt; Propanoic acid, 3-hydroxy-2-methyl-, sodium salt, (2S)- (1:1); R-β-HIBA-Na

Technical Data

Related CAS:	26543-05-5 (free acid) 1402163-95-4 (potassium salt)
IUPAC Name:	sodium;(2S)-3-hydroxy-2-methylpropanoate
Molecular Weight:	126.09
Molecular Formula:	C4H7NaO3
Canonical SMILES:	CC(CO)C(=O)[O-].[Na+]
InChI:	InChI=1S/C4H8O3.Na/c1-3(2-5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1/t3-;/m0./s1
InChI Key:	RBJZIQZDAZLXEK-DFWYDOINSA-M
Purity:	≥96%
Solubility:	Soluble in Water (Sparingly)
Storage:	Store at -20°C

Complexity:	69.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	127.03711339
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	127.03711339
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0