N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-Sulfo-beta-D-Galactopyranosyl)Oxy]-4-Octadecen-2-Yl}Tetracosanamide
[CAS# 3688-74-2]

Identification

• Name: N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-Sulfo-beta-D-Galactopyranosyl)Oxy]-4-Octadecen-2-Yl}Tetracosanamide
• Synonyms: 1-(3-O-sulfo-β-D-galactosyl)-N-tetracosanoylsphingosine; 3' Sulfogalactosylceramide; 3'-Sulfogalactosylceramide
• Molecular Formula: C₄₈H₉₃NO₁₁S
• Molecular Weight: 892.32
• CAS Registry Number: 3688-74-2
• SMILES: O=S(=O)(O)O[C@H]1[C@@H](O)[C@H](O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@@H]1O)CO
• InChI: 1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
• InChIKey: MEAZTWJVOWHKJM-CIAPRIGGSA-N

Properties

• Density: 1.097g/cm³ (Cal.)