[2-acetamido-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl] phosphono hydrogen phosphate

Systemtic Name: [2-acetamido-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl] phosphono hydrogen phosphate Openeye Name: [1-(1-acetamido-2-oxo-ethyl)-2,3,4-trihydroxy-butyl] phosphono hydrogen phosphate CAS Name: (2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl) phosphono hydrogen phosphate IUPAC Name: (2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl) phosphono hydrogen phosphate Traditional Name: [1-(1-acetamido-2-keto-ethyl)-2,3,4-trihydroxy-butyl] phosphono hydrogen phosphate Formula: C8H17NO12P2 MolecularWeight: 381.167602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C=O)C(C(C(CO)O)O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC(=O)NC(C=O)C(C(C(CO)O)O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H17NO12P2/c1-4(12)9-5(2-10)8(7(14)6(13)3-11)20-23(18,19)21-22(15,16)17/h2,5-8,11,13-14H,3H2,1H3,(H,9,12)(H,18,19)(H2,15,16,17)