(2S,3R)-3-(2-Carboxyethylsulfanyl)-2-Hydroxy-3-[2-(8-Phenyloctyl)Phenyl]Propanoic Acid
[CAS# 107023-41-6]

Identification

• Name: (2S,3R)-3-(2-Carboxyethylsulfanyl)-2-Hydroxy-3-[2-(8-Phenyloctyl)Phenyl]Propanoic Acid
• Synonyms: (2S,3R)-3-(2-Carboxyethylthio)-2-Hydroxy-3-[2-(8-Phenyloctyl)Phenyl]Propanoic Acid; (2S,3R)-3-(2-Carboxyethylthio)-2-Hydroxy-3-[2-(8-Phenyloctyl)Phenyl]Propionic Acid; Benzenepropanoic Acid, Beta-((2-Carboxyethyl)Thio)-Alpha-Hydroxy-2-(8-Phenyloctyl)-, (R-(R*,S*))-
• Molecular Formula: C₂₆H₃₄O₅S
• Molecular Weight: 458.61
• CAS Registry Number: 107023-41-6
• SMILES: [C@H](C1=C(C=CC=C1)CCCCCCCCC2=CC=CC=C2)(SCCC(O)=O)[C@H](C(O)=O)O
• InChI: 1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1
• InChIKey: PZIFPMYXXCAOCC-JWQCQUIFSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 671.079°C at 760 mmHg (Cal.)
• Flash point: 359.656°C (Cal.)