[(1S,2R,3S,5R,6R)-2-oxidanyl-3,5,6-triphosphonooxy-cyclohexyl] 3-oxidanyltetradecanoate

Systemtic Name: [(1S,2R,3S,5R,6R)-2-oxidanyl-3,5,6-triphosphonooxy-cyclohexyl] 3-oxidanyltetradecanoate Openeye Name: [(1S,2R,3S,5R,6R)-2-hydroxy-3,5,6-triphosphonooxy-cyclohexyl] 3-hydroxytetradecanoate CAS Name: 3-hydroxytetradecanoic acid [(1S,2R,3S,5R,6R)-2-hydroxy-3,5,6-triphosphonooxycyclohexyl] ester IUPAC Name: [(1S,2R,3S,5R,6R)-2-hydroxy-3,5,6-triphosphonooxycyclohexyl] 3-hydroxytetradecanoate Traditional Name: 3-hydroxymyristic acid [(1S,2R,3S,5R,6R)-2-hydroxy-3,5,6-triphosphonooxy-cyclohexyl] ester Formula: C20H41O16P3 MolecularWeight: 630.451223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)OC1C(C(CC(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)O[C@H]1[C@H]([C@H](C[C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O

InChI

InChI=1S/C20H41O16P3/c1-2-3-4-5-6-7-8-9-10-11-14(21)12-17(22)33-20-18(23)15(34-37(24,25)26)13-16(35-38(27,28)29)19(20)36-39(30,31)32/h14-16,18-21,23H,2-13H2,1H3,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t14?,15-,16+,18-,19-,20-/m0/s1