[(1S,2R,3R,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-4-(2-hydroxyethyloxy)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]azanium tetrachloride

Systemtic Name: [(1S,2R,3R,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-4-(2-hydroxyethyloxy)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]azanium tetrachloride Openeye Name: [(1S,2R,3R,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-(2-hydroxyethoxy)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-cyclohexyl]ammonium tetrachloride CAS Name: [(1S,2R,3R,4S,5R)-5-ammonio-2-[[(2R,3R,4R,5S,6R)-3-ammonio-6-(ammoniomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-[[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-(2-hydroxyethoxy)-6-methyl-2-oxanyl]oxy]-4-hydroxycyclohexyl]ammonium tetrachloride IUPAC Name: [(1S,2R,3R,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-(2-hydroxyethoxy)-6-methyloxan-2-yl]oxy-4-hydroxycyclohexyl]azanium tetrachloride Traditional Name: [(1S,2R,3R,4S,5R)-5-ammonio-2-[(2R,3R,4R,5S,6R)-3-ammonio-6-(ammoniomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-(2-hydroxyethoxy)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-cyclohexyl]ammonium tetrachloride Formula: C20H44Cl4N4O11 MolecularWeight: 658.39556

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)C[NH3+])O)O)[NH3+])[NH3+])[NH3+])O)O)OCCO)O.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C[NH3+])O)O)[NH3+])[NH3+])[NH3+])O)O)OCCO)O.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C20H40N4O11.4ClH/c1-6-11(26)17(31-3-2-25)15(30)20(32-6)35-18-12(27)7(22)4-8(23)16(18)34-19-10(24)14(29)13(28)9(5-21)33-19;;;;/h6-20,25-30H,2-5,21-24H2,1H3;4*1H/t6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17+,18-,19-,20+;;;;/m1..../s1