[(1S,5R,6S)-6-acetamido-5-oxidanyl-3-phosphonato-cyclohex-3-en-1-yl] phosphate

Systemtic Name: [(1S,5R,6S)-6-acetamido-5-oxidanyl-3-phosphonato-cyclohex-3-en-1-yl] phosphate Openeye Name: [(1S,5R,6S)-6-acetamido-5-hydroxy-3-phosphonato-cyclohex-3-en-1-yl] phosphate CAS Name: [(1S,5R,6S)-6-acetamido-5-hydroxy-3-phosphonato-1-cyclohex-3-enyl] phosphate IUPAC Name: [(1S,5R,6S)-6-acetamido-5-hydroxy-3-phosphonatocyclohex-3-en-1-yl] phosphate Traditional Name: [(1S,5R,6S)-6-acetamido-5-hydroxy-3-phosphonato-cyclohex-3-en-1-yl] phosphate Formula: C8H11NO9P2-4 MolecularWeight: 327.121762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1O)P(=O)([O-])[O-])OP(=O)([O-])[O-]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1O)P(=O)([O-])[O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C8H15NO9P2/c1-4(10)9-8-6(11)2-5(19(12,13)14)3-7(8)18-20(15,16)17/h2,6-8,11H,3H2,1H3,(H,9,10)(H2,12,13,14)(H2,15,16,17)/p-4/t6-,7+,8+/m1/s1