Molecule ID: 71627236

IUPAC Name: (2R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[5-aminopentoxy(hydroxy)phosphoryl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxypropanoic acid

Description: The molecule is a disaccharide derivative consisting of an N-acetyl-alpha-D-glucosaminyl residue linked (1->3) to an alpha-D-glucoside residue, the anomeric carbon of which is linked to O-2 of D-glyceric acid and the O-6 of which is connecteded via a phospho linkage to a 5-aminopentyl group.

SMILES: CC(O)=N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)C(=O)O)O[C@H](COP(=O)(O)OCCCCCN)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C22H41N2O17P/c1-10(27)24-14-17(30)15(28)11(7-25)38-21(14)41-19-16(29)13(9-37-42(34,35)36-6-4-2-3-5-23)40-22(18(19)31)39-12(8-26)20(32)33/h11-19,21-22,25-26,28-31H,2-9,23H2,1H3,(H,24,27)(H,32,33)(H,34,35)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,21-,22+/m1/s1

Molecular Properties:
- Polar Surface Area: 307.0 Ų
- LogP: -8.0