Molecule ID: 16755626

IUPAC Name: 3-[[(2R)-2-hydroxy-4-[hydroxy(oxido)phosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoate

Description: The molecule is an amidoalkyl phosphate. It derives from a (R)-pantothenic acid. It is a conjugate base of a (R)-4'-phosphopantothenate(1-). It is a conjugate acid of a (R)-4'-phosphonatopantothenate(3-).

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

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

InChI: InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/p-2/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -1.6