Molecule ID: 134264

IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Description: The molecule is a glycoside comprising beta-lactose having a p-(p-dimethylaminophenylazo)phenyl group at the 1-position. It has a role as a dye. It is a glycoside, a monoazo compound and a disaccharide derivative.

SMILES: CN(C)c1ccc(N=Nc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)cc1

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Branch2][N][=N][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1]

InChI: InChI=1S/C26H35N3O11/c1-29(2)15-7-3-13(4-8-15)27-28-14-5-9-16(10-6-14)37-25-23(36)21(34)24(18(12-31)39-25)40-26-22(35)20(33)19(32)17(11-30)38-26/h3-10,17-26,30-36H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26+/m1/s1

Molecular Properties:
- Polar Surface Area: 207.0 Ų
- LogP: -0.5