[(1R,2R,3S,4S,5S,6R)-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxy-2,4-bis(oxidanyl)-5,6-diphosphonooxy-cyclohexyl]oxymethylphosphonic acid

Systemtic Name: [(1R,2R,3S,4S,5S,6R)-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxy-2,4-bis(oxidanyl)-5,6-diphosphonooxy-cyclohexyl]oxymethylphosphonic acid Openeye Name: [(1R,2R,3S,4S,5S,6R)-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxy-2,4-dihydroxy-5,6-diphosphonooxy-cyclohexoxy]methylphosphonic acid CAS Name: [(1R,2R,3S,4S,5S,6R)-3-[[(2R)-2,3-bis(1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxy-2,4-dihydroxy-5,6-diphosphonooxycyclohexyl]oxymethylphosphonic acid IUPAC Name: [(1R,2R,3S,4S,5S,6R)-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2,4-dihydroxy-5,6-diphosphonooxycyclohexyl]oxymethylphosphonic acid Traditional Name: [(1R,2R,3S,4S,5S,6R)-3-[[(2R)-2,3-distearoyloxypropoxy]-hydroxy-phosphoryl]oxy-2,4-dihydroxy-5,6-diphosphonooxy-cyclohexoxy]methylphosphonic acid Formula: C46H92O22P4 MolecularWeight: 1121.104524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OCP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OCP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H92O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(47)62-35-38(65-40(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-64-72(60,61)68-43-41(49)44(63-37-69(51,52)53)46(67-71(57,58)59)45(42(43)50)66-70(54,55)56/h38,41-46,49-50H,3-37H2,1-2H3,(H,60,61)(H2,51,52,53)(H2,54,55,56)(H2,57,58,59)/t38-,41+,42+,43+,44-,45+,46-/m1/s1