[(1S,2S,4R,5S)-2,3,4-trimethoxy-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

Systemtic Name: [(1S,2S,4R,5S)-2,3,4-trimethoxy-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate Openeye Name: [(1S,2S,4R,5S)-2,3,4-trimethoxy-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate CAS Name: [(1S,2S,4R,5S)-2,3,4-trimethoxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate IUPAC Name: [(1S,2S,4R,5S)-2,3,4-trimethoxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate Traditional Name: [(1S,2S,4R,5S)-2,3,4-trimethoxy-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate Formula: C9H21O15P3 MolecularWeight: 462.175323

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(C1OC)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OC

Isomeric SMILES

CO[C@@H]1[C@@H](C([C@H]([C@@H](C1OC)OC)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C9H21O15P3/c1-19-4-5(20-2)7(22-25(10,11)12)9(24-27(16,17)18)8(6(4)21-3)23-26(13,14)15/h4-9H,1-3H3,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t4?,5-,6+,7-,8-,9?/m0/s1