5-acetamido-2-[(2-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

CAS: 501427-92-5

Formula: C31H45N3O21

SMILES: CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C2O)C(CO)OC1OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 5-acetamido-2-[(2-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

InChI: InChI=1/C31H45N3O21/c1-11(38)32-19-15(40)7-31(30(46)47,54-26(19)21(42)16(41)8-35)55-27-22(43)17(9-36)51-29(24(27)45)53-25-18(10-37)52-28(20(23(25)44)33-12(2)39)50-14-5-3-13(4-6-14)34(48)49/h3-6,15-29,35-37,40-45H,7-10H2,1-2H3,(H,32,38)(H,33,39)(H,46,47)

Composition: C (46.79%), H (5.70%), N (5.28%), O (42.22%)

Molar Mass: 795.701

Atom Count: 100

Heavy Atom Count: 55