(2S)-2-(Octadecylamino)Butanedioic Acid; 2-Sulfobutanedioic Acid
[CAS# 37767-39-8]

Identification

• Name: (2S)-2-(Octadecylamino)Butanedioic Acid; 2-Sulfobutanedioic Acid
• Synonyms: (2S)-2-(Stearylamino)Succinic Acid; 2-Sulfosuccinic Acid; Asparal F; Astromid 22
• Molecular Formula: C₂₆H₄₉NO₁₁S
• Molecular Weight: 583.73
• CAS Registry Number: 37767-39-8
• SMILES: [C@@H](NCCCCCCCCCCCCCCCCCC)(C(=O)O)CC(=O)O.C(C([S](=O)(=O)O)C(=O)O)C(=O)O
• InChI: 1S/C22H43NO4.C4H6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22(26)27)19-21(24)25;5-3(6)1-2(4(7)8)12(9,10)11/h20,23H,2-19H2,1H3,(H,24,25)(H,26,27);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/t20-;/m0./s1
• InChIKey: SBCDDEFVZNREEU-BDQAORGHSA-N

Properties

• Boiling point: 494.5°C at 760 mmHg (Cal.)
• Flash point: 252.9°C (Cal.)