4,6-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-oxidanyl-ethyl]amino]cyclohexane-1,2,3-triol

Systemtic Name: 4,6-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-oxidanyl-ethyl]amino]cyclohexane-1,2,3-triol Openeye Name: 4,6-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxy-ethyl]amino]cyclohexane-1,2,3-triol CAS Name: 4,6-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyethyl]amino]cyclohexane-1,2,3-triol IUPAC Name: 4,6-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyethyl]amino]cyclohexane-1,2,3-triol Traditional Name: 4,6-bis[bis[2-(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxy-ethyl]amino]cyclohexane-1,2,3-triol Formula: C42H66N14O19 MolecularWeight: 1071.05584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C(CN(CC(C3C(C4C(O3)OC(O4)(C)C)N=[N+]=[N-])O)C5CC(C(C(C5O)O)O)N(CC(C6C(C7C(O6)OC(O7)(C)C)N=[N+]=[N-])O)CC(C8C(C9C(O8)OC(O9)(C)C)N=[N+]=[N-])O)O)N=[N+]=[N-])C

Isomeric SMILES

CC1(OC2C(C(OC2O1)C(CN(CC(C3C(C4C(O3)OC(O4)(C)C)N=[N+]=[N-])O)C5CC(C(C(C5O)O)O)N(CC(C6C(C7C(O6)OC(O7)(C)C)N=[N+]=[N-])O)CC(C8C(C9C(O8)OC(O9)(C)C)N=[N+]=[N-])O)O)N=[N+]=[N-])C

InChI

InChI=1S/C42H66N14O19/c1-39(2)68-31-20(47-51-43)27(64-35(31)72-39)16(57)10-55(11-17(58)28-21(48-52-44)32-36(65-28)73-40(3,4)69-32)14-9-15(25(62)26(63)24(14)61)56(12-18(59)29-22(49-53-45)33-37(66-29)74-41(5,6)70-33)13-19(60)30-23(50-54-46)34-38(67-30)75-42(7,8)71-34/h14-38,57-63H,9-13H2,1-8H3