phosphono 2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoate phosphate

Systemtic Name: phosphono 2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoate phosphate Openeye Name: phosphono 2-acetamido-3,4,5,6-tetrahydroxy-hexanoate phosphate CAS Name: 2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid phosphono ester phosphate IUPAC Name: phosphono 2-acetamido-3,4,5,6-tetrahydroxyhexanoate phosphate Traditional Name: 2-acetamido-3,4,5,6-tetrahydroxy-hexanoic acid phosphono ester phosphate Formula: C8H16NO14P2-3 MolecularWeight: 412.158462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C(C(CO)O)O)O)C(=O)OP(=O)(O)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)NC(C(C(C(CO)O)O)O)C(=O)OP(=O)(O)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H16NO10P.H3O4P/c1-3(11)9-5(8(15)19-20(16,17)18)7(14)6(13)4(12)2-10;1-5(2,3)4/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H2,16,17,18);(H3,1,2,3,4)/p-3