BDBM36088 (S)-mandelic acid methyl ester
SMILES: COC(=O)[C@@H](O)c1ccccc1
InChI Key: InChIKey=ITATYELQCJRCCK-QMMMGPOBSA-N
Data: 3 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM36088 | CHEBI KEGG MMDB PC cid PC sid PDB | PC cid PC sid | -2.53 | -0.577 | -1.96 | 1.86 | 6.90 | 25 | |
Japan Science and Technology Agency | J Am Chem Soc 122: 4418-35 (2000) | |||||||||
BDBM11 | BDBM36088 | CHEBI KEGG MMDB PC cid PC sid PDB | PC cid PC sid | -2.48 | -0.477 | -2.02 | 1.82 | 4.80 | 25 | |
Japan Science and Technology Agency | J Am Chem Soc 122: 4418-35 (2000) | |||||||||
BDBM36127 | BDBM36088 | CHEBI PC cid PC sid | PC cid PC sid | -2.22 | -0.577 | -1.65 | 1.62 | 6.90 | 25 | |
Japan Science and Technology Agency | J Am Chem Soc 124: 813-26 (2002) |