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

Systemtic Name: [(1R,2S,3R,4R,5R)-5-methoxy-2-oxidanyl-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate Openeye Name: [(1R,2S,3R,4R,5R)-2-hydroxy-5-methoxy-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate CAS Name: [(1R,2S,3R,4R,5R)-2-hydroxy-5-methoxy-3,4-diphosphonooxycyclohexyl] dihydrogen phosphate IUPAC Name: [(1R,2S,3R,4R,5R)-2-hydroxy-5-methoxy-3,4-diphosphonooxycyclohexyl] dihydrogen phosphate Traditional Name: [(1R,2S,3R,4R,5R)-2-hydroxy-5-methoxy-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate Formula: C7H17O14P3 MolecularWeight: 418.122763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C7H17O14P3/c1-18-4-2-3(19-22(9,10)11)5(8)7(21-24(15,16)17)6(4)20-23(12,13)14/h3-8H,2H2,1H3,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t3-,4-,5+,6-,7-/m1/s1