(Z)-[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]-[(2S,3R)-3-[(1S)-1,3-bis(oxidanyl)-3-oxidanylidene-propoxy]-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-butylidene]-(hydroxymethyl)azanium

Systemtic Name: (Z)-[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]-[(2S,3R)-3-[(1S)-1,3-bis(oxidanyl)-3-oxidanylidene-propoxy]-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-butylidene]-(hydroxymethyl)azanium Openeye Name: (Z)-(1-carboxy-4-hydroxy-4-oxo-butyl)-[(2S,3R)-3-[(1S)-1,3-dihydroxy-3-oxo-propoxy]-4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butylidene]-(hydroxymethyl)ammonium CAS Name: (Z)-(1,5-dihydroxy-1,5-dioxopentan-2-yl)-[(2S,3R)-3-[(1S)-1,3-dihydroxy-3-oxopropoxy]-4-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butylidene]-(hydroxymethyl)ammonium IUPAC Name: (Z)-(1,5-dihydroxy-1,5-dioxopentan-2-yl)-[(2S,3R)-3-[(1S)-1,3-dihydroxy-3-oxopropoxy]-4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-(hydroxymethyl)azanium Traditional Name: (Z)-(1-carboxy-4-hydroxy-4-keto-butyl)-[(2S,3R)-3-[(1S)-1,3-dihydroxy-3-keto-propoxy]-4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butylidene]-methylol-ammonium Formula: C19H32NO16+ MolecularWeight: 530.45448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)O)[N+](=CC(C(CO)OC(CC(=O)O)O)OC1C(C(C(C(O1)CO)O)O)O)CO

Isomeric SMILES

C(CC(=O)O)C(C(=O)O)/[N+](=C/[C@@H]([C@@H](CO)O[C@@H](CC(=O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO

InChI

InChI=1S/C19H31NO16/c21-5-10(34-14(28)3-13(26)27)9(4-20(7-23)8(18(32)33)1-2-12(24)25)35-19-17(31)16(30)15(29)11(6-22)36-19/h4,8-11,14-17,19,21-23,28-31H,1-3,5-7H2,(H2-,24,25,26,27,32,33)/p+1/b20-4+/t8?,9-,10+,11+,14-,15+,16-,17+,19-/m0/s1