Molecule ID: 92136116

IUPAC Name: [(2R,3S,4R,5R)-3,4,6-trihydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]methyl dihydrogen phosphate

Description: The molecule is an N-acyl-D-glucosamine phosphate in which the N-acyl group is specified as glycoloyl and the phosphate group is located at position 6. An intermediate in the N-glycolylneuraminic acid (Neu5Gc) degradation pathway

SMILES: O=P(O)(O)OC[C@H]1OC(O)[C@H](N=C(O)CO)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C8H16NO10P/c10-1-4(11)9-5-7(13)6(12)3(19-8(5)14)2-18-20(15,16)17/h3,5-8,10,12-14H,1-2H2,(H,9,11)(H2,15,16,17)/t3-,5-,6-,7-,8?/m1/s1

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: -4.9