Molecule ID: 86583493

IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-5-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxidophosphoryl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] 3-aminopropyl phosphate

Description: The molecule is the organophosphate oxoanion formed by proton loss from each of the phospho groups of dihydrogen 4-O-(2-acetamido-2-deoxy-alpha-D-glucosylphospho)-2-acetamido-2-deoxy-alpha-D-glucosyl 3-aminopropyl phosphate It is a conjugate base of a dihydrogen 4-O-(2-acetamido-2-deoxy-alpha-D-glucosylphospho)-2-acetamido-2-deoxy-alpha-D-glucosyl 3-aminopropyl phosphate.

SMILES: CC([O-])=N[C@H]1[C@@H](OP(=O)(O)OCCCN)O[C@H](CO)[C@@H](OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)[O-])[C@@H]1O

SELFIES: [C][C][Branch1][C][O-1][=N][C@H1][C@@H1][Branch1][=C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][N][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][=C][Branch1][C][C][O-1][C@@H1][Ring2][Ring2][Ring2][O]

InChI: InChI=1S/C19H37N3O17P2/c1-8(25)21-12-15(28)14(27)10(6-23)35-18(12)39-41(32,33)37-17-11(7-24)36-19(13(16(17)29)22-9(2)26)38-40(30,31)34-5-3-4-20/h10-19,23-24,27-29H,3-7,20H2,1-2H3,(H,21,25)(H,22,26)(H,30,31)(H,32,33)/p-2/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 321.0 Ų
- LogP: -7.1