2-Amino-3-[[2-(Carboxymethyl)-2,5-Dihydroxy-1-Cyclohex-3 Enyl]Sulfanyl]Propanoic Acid
[CAS# 63224-90-8]

Identification

• Name: 2-Amino-3-[[2-(Carboxymethyl)-2,5-Dihydroxy-1-Cyclohex-3 Enyl]Sulfanyl]Propanoic Acid
• Synonyms: 2-Amino-3-[[2-(Carboxymethyl)-2,5-Dihydroxy-1-Cyclohex-3-Enyl]Thio]Propanoic Acid; 2-Amino-3-[[2-(Carboxymethyl)-2,5-Dihydroxy-1-Cyclohex-3-Enyl]Thio]Propionic Acid; Hawkinsin
• Molecular Formula: C₁₁H₁₇NO₆S
• Molecular Weight: 291.32
• CAS Registry Number: 63224-90-8
• SMILES: C(C1(C=CC(CC1SCC(C(=O)O)N)O)O)C(=O)O
• InChI: 1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17)
• InChIKey: SPXVLTDISXZSFM-UHFFFAOYSA-N

Properties

• Density: 1.54g/cm³ (Cal.)
• Boiling point: 619.184°C at 760 mmHg (Cal.)
• Flash point: 328.271°C (Cal.)