hexadecyl [(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate

Systemtic Name: hexadecyl [(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate Openeye Name: hexadecyl [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate CAS Name: hexadecyl [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate IUPAC Name: hexadecyl [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate Traditional Name: cetyl [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate Formula: C22H45O9P MolecularWeight: 484.561061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O

InChI

InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-32(28,29)31-22-20(26)18(24)17(23)19(25)21(22)27/h17-27H,2-16H2,1H3,(H,28,29)/t17?,18-,19+,20-,21-,22?/m1/s1