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

Systemtic Name: [(2S,4S)-1-azaniumyl-5-[[(1R,2S,3S,4R,5S)-5-azaniumyl-2-[(2R,3S,4R,5R,6S)-4-azaniumyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]amino]-4-oxidanyl-5-oxidanylidene-pentan-2-yl]azanium pentaethanoate Openeye Name: [(2S,4S)-2-azaniumyl-5-[[(1R,2S,3S,4R,5S)-5-azaniumyl-2-[(2R,3S,4R,5R,6S)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]amino]-4-hydroxy-5-oxo-pentyl]ammonium pentaacetate CAS Name: [(2S,4S)-1-ammonio-5-[[(1R,2S,3S,4R,5S)-5-ammonio-2-[[(2R,3S,4R,5R,6S)-4-ammonio-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2R,3R,4S,5S,6R)-6-(ammoniomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-hydroxycyclohexyl]amino]-4-hydroxy-5-oxopentan-2-yl]ammonium pentaacetate IUPAC Name: [(2S,4S)-1-azaniumyl-5-[[(1R,2S,3S,4R,5S)-5-azaniumyl-2-[(2R,3S,4R,5R,6S)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]amino]-4-hydroxy-5-oxopentan-2-yl]azanium pentaacetate Traditional Name: [(2S,4S)-2-ammonio-5-[[(1R,2S,3S,4R,5S)-5-ammonio-2-[(2R,3S,4R,5R,6S)-4-ammonio-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(ammoniomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]amino]-4-hydroxy-5-keto-pentyl]ammonium pentaacetate Formula: C33H66N6O23 MolecularWeight: 914.90354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C1C(C(C(C(C1NC(=O)C(CC(C[NH3+])[NH3+])O)OC2C(C(C(C(O2)CO)O)[NH3+])O)O)OC3C(C(C(C(O3)C[NH3+])O)O)O)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C23H46N6O13.5C2H4O2/c24-3-6(26)1-9(31)21(38)29-8-2-7(27)19(41-23-17(36)16(35)14(33)10(4-25)39-23)18(37)20(8)42-22-15(34)12(28)13(32)11(5-30)40-22;5*1-2(3)4/h6-20,22-23,30-37H,1-5,24-28H2,(H,29,38);5*1H3,(H,3,4)/t6-,7-,8+,9-,10+,11-,12+,13-,14+,15-,16-,17+,18-,19+,20-,22-,23+;;;;;/m0...../s1