Molecule ID: 135563669

IUPAC Name: (2R,4S,5R,6R)-6-[(1R,2R)-2-[(2R,4S,5R,6R)-2-carboxy-6-[(1R,2R)-2-[(2R,4S,5R,6R)-2-carboxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4,5-dihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid

Description: The molecule is an oligosaccharide consisting of deamino-alpha-neuraminyl residues linked (2->8) (degree of polymerisation = 2--7; average degree of polymerisation ~ 3). It derives from a deamino-alpha-neuraminic acid.

SMILES: O=C(O)[C@@]1(O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O)(C(=O)O)C[C@H](O)[C@H]2O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@@H](CO)O[C@]2(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O2)O1

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

InChI: InChI=1S/C27H44O25/c28-4-10(34)16(38)19-14(36)8(32)2-26(51-19,23(43)44)49-12(6-30)18(40)21-15(37)9(33)3-27(52-21,24(45)46)48-11(5-29)17(39)20-13(35)7(31)1-25(47,50-20)22(41)42/h7-21,28-40,47H,1-6H2,(H,41,42)(H,43,44)(H,45,46)/t7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,25+,26+,27+/m0/s1

Molecular Properties:
- Polar Surface Area: 441.0 Ų
- LogP: -8.4