[(2S)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium; [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate

Systemtic Name: [(2S)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium; [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate Openeye Name: [(2S)-2,4-dihydroxy-4-oxo-butyl]-trimethyl-ammonium; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate CAS Name: [(2S)-2,4-dihydroxy-4-oxobutyl]-trimethylammonium; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate IUPAC Name: [(2S)-2,4-dihydroxy-4-oxobutyl]-trimethylazanium; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate Traditional Name: [(2S)-2,4-dihydroxy-4-keto-butyl]-trimethyl-ammonium; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate Formula: C13H28NO12P MolecularWeight: 421.334681

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)O.C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)O

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)[O-])O)O)O)O

InChI

InChI=1S/C7H15NO3.C6H13O9P/c1-8(2,3)5-6(9)4-7(10)11;7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h6,9H,4-5H2,1-3H3;2-10H,1H2,(H2,11,12,13)/t6-;2-,3-,4+,5-,6-/m01/s1