(3aR,5S,6R,6aR)-6-[[3-[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-[[3,5-bis[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]diazenyl]phenyl]methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid

Systemtic Name: (3aR,5S,6R,6aR)-6-[[3-[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-[[3,5-bis[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]diazenyl]phenyl]methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid Openeye Name: (3aR,5S,6R,6aR)-6-[[3-[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-[3,5-bis[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]azo-phenyl]methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid CAS Name: (3aR,5S,6R,6aR)-6-[[3-[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-[3,5-bis[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]azophenyl]methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid IUPAC Name: (3aR,5S,6R,6aR)-6-[[3-[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-[[3,5-bis[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]diazenyl]phenyl]methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid Traditional Name: (3aR,5S,6R,6aR)-6-[3-[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-[3,5-bis[[(3aR,5S,6R,6aR)-5-carboxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]azo-benzyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid Formula: C48H58N2O24 MolecularWeight: 1046.97312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C(=O)O)OCC3=CC(=CC(=C3)N=NC4=CC(=CC(=C4)COC5C6C(OC5C(=O)O)OC(O6)(C)C)COC7C8C(OC7C(=O)O)OC(O8)(C)C)COC9C1C(OC9C(=O)O)OC(O1)(C)C)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(=O)O)OCC3=CC(=CC(=C3)N=NC4=CC(=CC(=C4)CO[C@@H]5[C@@H]6[C@H](O[C@@H]5C(=O)O)OC(O6)(C)C)CO[C@@H]7[C@@H]8[C@H](O[C@@H]7C(=O)O)OC(O8)(C)C)CO[C@@H]9[C@@H]1[C@H](O[C@@H]9C(=O)O)OC(O1)(C)C)C

InChI

InChI=1S/C48H58N2O24/c1-45(2)67-33-25(29(37(51)52)63-41(33)71-45)59-15-19-9-20(16-60-26-30(38(53)54)64-42-34(26)68-46(3,4)72-42)12-23(11-19)49-50-24-13-21(17-61-27-31(39(55)56)65-43-35(27)69-47(5,6)73-43)10-22(14-24)18-62-28-32(40(57)58)66-44-36(28)70-48(7,8)74-44/h9-14,25-36,41-44H,15-18H2,1-8H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,41+,42+,43+,44+/m0/s1