N-[(2R,3R,4R,5S,6R)-2-{[(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

CAS: 235752-73-5

Formula: C22H31N3O13

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O

IUPAC: N-[(2R,3R,4R,5S,6R)-2-{[(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

InChI: InChI=1S/C22H31N3O13/c1-9(27)23-15-19(31)17(29)13(7-26)37-21(15)35-8-14-18(30)20(32)16(24-10(2)28)22(38-14)36-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26,29-32H,7-8H2,1-2H3,(H,23,27)(H,24,28)/t13-,14-,15-,16-,17+,18-,19-,20-,21-,22+/m1/s1

Composition: C (48.44%), H (5.73%), N (7.70%), O (38.13%)

Molar Mass: 545.498

Atom Count: 69

Heavy Atom Count: 38