Molecule ID: 86290128

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

Description: The molecule is the organophosphate oxoanion formed by proton loss from the phospho group of 3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate. It is a conjugate base of a 3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate.

SMILES: CC([O-])=N[C@H]1[C@@H](OP(=O)(O)OCCCN)O[C@H](CO)[C@@H](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][Branch1][C][O][C@@H1][Ring2][Ring1][C][O]

InChI: InChI=1S/C11H23N2O9P/c1-6(15)13-8-10(17)9(16)7(5-14)21-11(8)22-23(18,19)20-4-2-3-12/h7-11,14,16-17H,2-5,12H2,1H3,(H,13,15)(H,18,19)/p-1/t7-,8-,9-,10-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 184.0 Ų
- LogP: -3.8