[(2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2-(phenylmethoxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-4-yl] tetradecanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2-(phenylmethoxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-4-yl] tetradecanoate Openeye Name: [(2R,3S,4R,5R,6R)-2-(benzyloxymethyl)-3-dibenzyloxyphosphoryloxy-6-(2,2,2-trichloroethanimidoyl)oxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [(2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-2-(phenylmethoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [(2R,3S,4R,5R,6R)-2-(benzoxymethyl)-3-dibenzoxyphosphoryloxy-6-(2,2,2-trichloroacetimidoyl)oxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] ester Formula: C46H59Cl6N2O11P MolecularWeight: 1059.659221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C46H59Cl6N2O11P/c1-2-3-4-5-6-7-8-9-10-11-21-28-38(55)63-41-39(54-44(56)59-33-45(47,48)49)42(64-43(53)46(50,51)52)62-37(32-58-29-34-22-15-12-16-23-34)40(41)65-66(57,60-30-35-24-17-13-18-25-35)61-31-36-26-19-14-20-27-36/h12-20,22-27,37,39-42,53H,2-11,21,28-33H2,1H3,(H,54,56)/t37-,39-,40-,41-,42-/m1/s1