Molecule ID: 46878597

IUPAC Name: [(2S)-2-(2-azaniumylpropanoyloxy)-3-hydroxypropyl] phosphate

Description: The molecule is the conjugate base of alanyl poly(glycerol phosphate); major species at pH 7.3. It is a conjugate base of a member of alanyl poly(glycerol phosphate)s.

SMILES: CC(N)C(=O)O[C@@H](CO)COP(=O)([O-])O

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

InChI: InChI=1S/C6H14NO7P/c1-4(7)6(9)14-5(2-8)3-13-15(10,11)12/h4-5,8H,2-3,7H2,1H3,(H2,10,11,12)/p-1/t4?,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -5.2