zinc; (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioate

Systemtic Name: zinc; (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioate Openeye Name: zinc; (3R)-3-propanoyloxy-4-(trimethylammonio)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate CAS Name: zinc; (3R)-3-(1-oxopropoxy)-4-(trimethylammonio)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate IUPAC Name: zinc; (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate Traditional Name: zinc; (3R)-3-propionyloxy-4-(trimethylammonio)butyrate; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyadipate Formula: C16H27NO12Zn MolecularWeight: 490.79408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Zn+2]

Isomeric SMILES

CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.[C@@H]([C@@H]([C@H](C(=O)[O-])O)O)([C@@H](C(=O)[O-])O)O.[Zn+2]

InChI

InChI=1S/C10H19NO4.C6H10O8.Zn/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h8H,5-7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14);/q;;+2/p-2/t8-;1-,2+,3+,4-;/m1../s1