[(1R,2S,3R,4R,5S)-5-azaniumyl-2-[(2S,3R,4S,5S,6R)-4-azaniumyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]azanium

Systemtic Name: [(1R,2S,3R,4R,5S)-5-azaniumyl-2-[(2S,3R,4S,5S,6R)-4-azaniumyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]azanium Openeye Name: [(1R,2S,3R,4R,5S)-5-azaniumyl-2-[(2S,3R,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl]ammonium CAS Name: [(1R,2S,3R,4R,5S)-5-ammonio-2-[[(2S,3R,4S,5S,6R)-4-ammonio-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclohexyl]ammonium IUPAC Name: [(1R,2S,3R,4R,5S)-5-azaniumyl-2-[(2S,3R,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]azanium Traditional Name: [(1R,2S,3R,4R,5S)-5-ammonio-2-[(2S,3R,4S,5S,6R)-4-ammonio-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexyl]ammonium Formula: C18H38N3O12+3 MolecularWeight: 488.50722

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Descriptors Computed from Structure

Canonical SMILES:

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

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)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)[NH3+])O)[NH3+]

InChI

InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1