Molecule ID: 49859612

IUPAC Name: (2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoic acid

Description: The molecule is a carboxyalkyl phosphate that is the 4-phosphate derivative of (R)-pantoic acid. It derives from a (R)-pantoic acid. It is a conjugate acid of a (R)-4-phosphonatopantoate(3-).

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

InChI: InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -1.4