[2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-octoxy-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-1-azanyl-ethylidene]azanium chloride

Systemtic Name: [2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-octoxy-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-1-azanyl-ethylidene]azanium chloride Openeye Name: [2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-1-amino-ethylidene]ammonium chloride CAS Name: [2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-octoxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-1-aminoethylidene]ammonium chloride IUPAC Name: [2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-octoxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-1-aminoethylidene]azanium chloride Traditional Name: [2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-methylol-6-octoxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-1-amino-ethylidene]ammonium chloride Formula: C24H46ClN3O11 MolecularWeight: 588.08854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COCC(=[NH2+])N)O)O)O)O)NC(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC(=[NH2+])N)O)O)O)O)NC(=O)C.[Cl-]

InChI

InChI=1S/C24H45N3O11.ClH/c1-3-4-5-6-7-8-9-35-23-17(27-13(2)29)19(31)22(14(10-28)36-23)38-24-21(33)20(32)18(30)15(37-24)11-34-12-16(25)26;/h14-15,17-24,28,30-33H,3-12H2,1-2H3,(H3,25,26)(H,27,29);1H/t14-,15-,17-,18+,19-,20+,21-,22-,23-,24+;/m1./s1