beta-Citryl-L-glutamic acid
[CAS# 69281-09-0]

Identification

• Name: beta-Citryl-L-glutamic acid
• Synonyms: 3-[[(1S)-1-Carboxy-4-Hydroxy-4-Oxo-Butyl]Carbamoyl]-3-Hydroxy-Pentanedioic Acid; 3-[[[(1S)-1-Carboxy-4-Hydroxy-4-Oxobutyl]Amino]-Oxomethyl]-3-Hydroxypentanedioic Acid; 3-[[(1S)-1-Carboxy-4-Hydroxy-4-Keto-Butyl]Carbamoyl]-3-Hydroxy-Glutaric Acid
• Molecular Formula: C₁₁H₁₅NO₁₀
• Molecular Weight: 321.24
• CAS Registry Number: 69281-09-0
• SMILES: [C@H](C(=O)O)(NC(C(CC(=O)O)(O)CC(=O)O)=O)CCC(=O)O
• InChI: 1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1
• InChIKey: GAQNUGISBQJMKO-YFKPBYRVSA-N

Properties

• Density: 1.669g/cm³ (Cal.)
• Boiling point: 730.666°C at 760 mmHg (Cal.)
• Flash point: 395.693°C (Cal.)