[(3R,5R)-1-phenethyl-3,5-diphosphonooxy-piperidin-4-yl] dihydrogen phosphate

Systemtic Name: [(3R,5R)-1-phenethyl-3,5-diphosphonooxy-piperidin-4-yl] dihydrogen phosphate Openeye Name: [(3R,5R)-1-phenethyl-3,5-diphosphonooxy-4-piperidyl] dihydrogen phosphate CAS Name: [(3R,5R)-1-phenethyl-3,5-diphosphonooxy-4-piperidinyl] dihydrogen phosphate IUPAC Name: [(3R,5R)-1-phenethyl-3,5-diphosphonooxypiperidin-4-yl] dihydrogen phosphate Traditional Name: [(3R,5R)-1-phenethyl-3,5-diphosphonooxy-4-piperidyl] dihydrogen phosphate Formula: C13H22NO12P3 MolecularWeight: 477.234563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1CCC2=CC=CC=C2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1[C@H](C([C@@H](CN1CCC2=CC=CC=C2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C13H22NO12P3/c15-27(16,17)24-11-8-14(7-6-10-4-2-1-3-5-10)9-12(25-28(18,19)20)13(11)26-29(21,22)23/h1-5,11-13H,6-9H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)/t11-,12-/m1/s1