[(2R,3R,5S,6R)-2,6-di(hexanoyloxy)-3,4,5-triphosphonooxy-cyclohexyl] hexanoate

Systemtic Name: [(2R,3R,5S,6R)-2,6-di(hexanoyloxy)-3,4,5-triphosphonooxy-cyclohexyl] hexanoate Openeye Name: [(2R,3R,5S,6R)-2,6-di(hexanoyloxy)-3,4,5-triphosphonooxy-cyclohexyl] hexanoate CAS Name: hexanoic acid [(2R,3R,5S,6R)-2,6-bis(1-oxohexoxy)-3,4,5-triphosphonooxycyclohexyl] ester IUPAC Name: [(2R,3R,5S,6R)-2,6-di(hexanoyloxy)-3,4,5-triphosphonooxycyclohexyl] hexanoate Traditional Name: hexanoic acid [(2R,3R,5S,6R)-2,6-dicaproyloxy-3,4,5-triphosphonooxy-cyclohexyl] ester Formula: C24H45O18P3 MolecularWeight: 714.524583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1C(C(C(C(C1OC(=O)CCCCC)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OC(=O)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C24H45O18P3/c1-4-7-10-13-16(25)37-19-20(38-17(26)14-11-8-5-2)22(40-43(28,29)30)24(42-45(34,35)36)23(41-44(31,32)33)21(19)39-18(27)15-12-9-6-3/h19-24H,4-15H2,1-3H3,(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t19?,20-,21-,22-,23+,24?/m1/s1