5-[2-({[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Amino}[4-(Methylsulfinyl)Phenyl]Methyl)-5-(Methylsulfinyl)Phenoxy]Pentanoic Acid
[CAS# 147046-64-8]

Identification

• Name: 5-[2-({[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Amino}[4-(Methylsulfinyl)Phenyl]Methyl)-5-(Methylsulfinyl)Phenoxy]Pentanoic Acid
• Synonyms: 4,4'-Bis(methylsulfinyl)-2-(4-carboxybutoxy)-N-Fmoc-benzhydrylamine; Safety catch amide linker; SCAL-Linker
• Molecular Formula: C₃₅H₃₅NO₇S₂
• Molecular Weight: 645.78
• CAS Registry Number: 147046-64-8
• SMILES: O=S(c1ccc(cc1)C(c2ccc(S(=O)C)cc2OCCCCC(=O)O)NC(=O)OCC5c3ccccc3c4c5cccc4)C
• InChI: 1S/C35H35NO7S2/c1-44(40)24-16-14-23(15-17-24)34(30-19-18-25(45(2)41)21-32(30)42-20-8-7-13-33(37)38)36-35(39)43-22-31-28-11-5-3-9-26(28)27-10-4-6-12-29(27)31/h3-6,9-12,14-19,21,31,34H,7-8,13,20,22H2,1-2H3,(H,36,39)(H,37,38)
• InChIKey: HNBIMYCEMCRBND-UHFFFAOYSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 927.615°C at 760 mmHg (Cal.)
• Flash point: 514.803°C (Cal.)
• Refractive index: 1.699 (Cal.)