Glycine Cresol Red
[CAS# 4079-10-1]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Glycine derivatives
• Name: Glycine Cresol Red
• Synonyms: 2-[[5-[[3-[[3-(Carboxymethylamino)-4-Hydroxy-5-Methyl-Phenyl]Methyl]-1,1-Dioxo-Benzo[C]Oxathiol-3-Yl]Methyl]-2-Hydroxy-3-Methyl-Phenyl]Amino]Acetic Acid; 2-[[5-[[3-[[3-(Carboxymethylamino)-4-Hydroxy-5-Methylphenyl]Methyl]-1,1-Dioxo-3-Benzo[C]Oxathiolyl]Methyl]-2-Hydroxy-3-Methylphenyl]Amino]Acetic Acid; 2-[[5-[[3-[3-(Carboxymethylamino)-4-Hydroxy-5-Methyl-Benzyl]-1,1-Diketo-Benzo[C]Oxathiol-3-Yl]Methyl]-2-Hydroxy-3-Methyl-Phenyl]Amino]Acetic Acid
• Molecular Formula: C₂₇H₂₈N₂O₉S
• Molecular Weight: 556.59
• CAS Registry Number: 4079-10-1
• EINECS: 223-801-9
• SMILES: C1=CC=CC2=C1C(O[S]2(=O)=O)(CC3=CC(=C(O)C(=C3)NCC(=O)O)C)CC4=CC(=C(O)C(=C4)NCC(=O)O)C
• InChI: 1S/C27H28N2O9S/c1-15-7-17(9-20(25(15)34)28-13-23(30)31)11-27(19-5-3-4-6-22(19)39(36,37)38-27)12-18-8-16(2)26(35)21(10-18)29-14-24(32)33/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33)
• InChIKey: XLKKIJLSRAOTHH-UHFFFAOYSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 877.991°C at 760 mmHg (Cal.)
• Flash point: 484.791°C (Cal.)