[(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,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(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,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(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-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-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]-4-hydroxy-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclohexyl]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-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]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-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexyl]ammonium tetrachloride Formula: C18H40Cl4N4O11 MolecularWeight: 630.3424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1[NH3+])OC2C(C(C(C(O2)C[NH3+])O)O)[NH3+])OC3C(C(C(C(O3)CO)O)O)O)O)[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)O)[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C18H36N4O11.4ClH/c19-2-6-10(25)12(27)8(22)17(30-6)32-15-5(21)1-4(20)9(24)16(15)33-18-14(29)13(28)11(26)7(3-23)31-18;;;;/h4-18,23-29H,1-3,19-22H2;4*1H/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18+;;;;/m1..../s1