(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 |
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 |
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