sodium; (3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one; 4-oxidanylbutanoate

Systemtic Name: sodium; (3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one; 4-oxidanylbutanoate Openeye Name: sodium; 4-hydroxybutanoate; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one CAS Name: sodium; 4-hydroxybutanoate; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanone IUPAC Name: sodium; 4-hydroxybutanoate; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one Traditional Name: sodium; 4-hydroxybutyrate; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-one Formula: C10H17NaO9 MolecularWeight: 304.22635

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])CO.C(C1C(C(C(C(=O)O1)O)O)O)O.[Na+]

Isomeric SMILES

C(CC(=O)[O-])CO.C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O.[Na+]

InChI

InChI=1S/C6H10O6.C4H8O3.Na/c7-1-2-3(8)4(9)5(10)6(11)12-2;5-3-1-2-4(6)7;/h2-5,7-10H,1H2;5H,1-3H2,(H,6,7);/q;;+1/p-1/t2-,3-,4+,5-;;/m1../s1