Molecule ID: 46878464

IUPAC Name: [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate

Description: The molecule is dianion of (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate arising from deprotonation of both phosphate OH groups. It is a conjugate base of a (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate.

SMILES: O=P([O-])([O-])OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/p-2/t10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.4