5-[4-Carboxy-2-({3-Oxo-3-[4-(Stearoylamino)Phenyl]Propanoyl}Amino)Phenoxy]Isophthalic Acid
[CAS# 17725-27-8]

Identification

• Name: 5-[4-Carboxy-2-({3-Oxo-3-[4-(Stearoylamino)Phenyl]Propanoyl}Amino)Phenoxy]Isophthalic Acid
• Synonyms: 4-(TRIMETHYLSILYL)PHENYLBORONIC ACID; 5-(4-carboxy-2-{3-[4-(octadecanoylamino)phenyl]-3-oxopropanoylamino}phenoxy)be nzene-1,3-dicarboxylic acid; 5-(4-carboxy-2-{3-[4-(octadecanoylamino)phenyl]-3-oxopropanoylamino}phenoxy)benzene-1,3-dicarboxylic acid
• Molecular Formula: C₄₂H₅₂N₂O₁₀
• Molecular Weight: 744.87
• CAS Registry Number: 17725-27-8
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)O
• InChI: 1S/C42H52N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(46)43-33-21-18-29(19-22-33)36(45)28-39(47)44-35-27-30(40(48)49)20-23-37(35)54-34-25-31(41(50)51)24-32(26-34)42(52)53/h18-27H,2-17,28H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)(H,52,53)
• InChIKey: QSQBOKJNONRHQL-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 957.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 532.9±34.3°C (Cal.)
• Refractive index: 1.597 (Cal.)