(2S,3S,4S,5S)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid

CAS: 108321-42-2

Formula: C20H42N4O14S

SMILES: OS(O)(=O)=O.CN[C@H]1[C@H](O)[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)OC[C@@]1(C)O

IUPAC: (2S,3S,4S,5S)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid

InChI: InChI=1S/C20H40N4O10.H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;/m0./s1

Composition: C (40.40%), H (7.12%), N (9.42%), O (37.67%), S (5.39%)

Molar Mass: 594.63

Atom Count: 81

Heavy Atom Count: 39