hexapotassium [(1R,3S,4R,6S)-2,3-diphosphonatooxy-4,5,6-triphosphonooxy-cyclohexyl] phosphate

Systemtic Name: hexapotassium [(1R,3S,4R,6S)-2,3-diphosphonatooxy-4,5,6-triphosphonooxy-cyclohexyl] phosphate Openeye Name: hexapotassium [(1R,3S,4R,6S)-2,3-diphosphonatooxy-4,5,6-triphosphonooxy-cyclohexyl] phosphate CAS Name: hexapotassium [(1R,3S,4R,6S)-2,3-diphosphonatooxy-4,5,6-triphosphonooxycyclohexyl] phosphate IUPAC Name: hexapotassium [(1R,3S,4R,6S)-2,3-diphosphonatooxy-4,5,6-triphosphonooxycyclohexyl] phosphate Traditional Name: hexapotassium [(1R,3S,4R,6S)-2,3-diphosphato-4,5,6-triphosphonooxy-cyclohexyl] phosphate Formula: C6H12K6O24P6 MolecularWeight: 888.577446

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O.[K+].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)(O)O.[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C6H18O24P6.6K/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;/q;6*+1/p-6/t1-,2-,3?,4?,5-,6-;;;;;;