2-[(3-Hexadecanoyloxy-2,7,12,13-Tetrahydroxyoctadecanoyl)Amino]Ethanesulfonic Acid
[CAS# 126513-90-4]

Identification

• Name: 2-[(3-Hexadecanoyloxy-2,7,12,13-Tetrahydroxyoctadecanoyl)Amino]Ethanesulfonic Acid
• Synonyms: 2-[(3-Hexadecanoyloxy-2,7,12,13-Tetrahydroxy-Octadecanoyl)Amino]Ethanesulfonic Acid; 2-[[2,7,12,13-Tetrahydroxy-1-Oxo-3-(1-Oxohexadecoxy)Octadecyl]Amino]Ethanesulfonic Acid; 2-(3-Acyloxy-2,7,12,13-Tetrahydroxyoctadecanoyl)Aminoethanesulfonic Acid
• Molecular Formula: C₃₆H₇₁NO₁₀S
• Molecular Weight: 710.02
• CAS Registry Number: 126513-90-4
• SMILES: C(C(=O)OC(CCCC(CCCCC(C(CCCCC)O)O)O)C(C(NCC[S](=O)(=O)O)=O)O)CCCCCCCCCCCCCC
• InChI: 1S/C36H71NO10S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-27-34(41)47-33(35(42)36(43)37-28-29-48(44,45)46)26-21-23-30(38)22-19-20-25-32(40)31(39)24-17-6-4-2/h30-33,35,38-40,42H,3-29H2,1-2H3,(H,37,43)(H,44,45,46)
• InChIKey: BXEVRQCXMVJMIQ-UHFFFAOYSA-N

Properties

• Density: 1.105g/cm³ (Cal.)