6-O-(3-Hydroxy-2-Docosylhexacosanoyl)Muramyl Dipeptide
[CAS# 81649-55-0]

Identification

• Name: 6-O-(3-Hydroxy-2-Docosylhexacosanoyl)Muramyl Dipeptide
• Synonyms: (2R)-5-Amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-[(2-Docosyl-3-Hydroxy-Hexacosanoyl)Amino]-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (2R)-5-Amino-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-[(2-Docosyl-3-Hydroxy-1-Oxohexacosyl)Amino]-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (2R)-5-Amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-[(2-Behenyl-3-Hydroxy-Hexacosanoyl)Amino]-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₆₅H₁₂₄N₄O₁₂
• Molecular Weight: 1153.71
• CAS Registry Number: 81649-55-0
• SMILES: [C@@H](C(=O)O)(NC([C@@H](NC(C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C(C(CCCCCCCCCCCCCCCCCCCCCCC)O)CCCCCCCCCCCCCCCCCCCCCC)=O)=O)C)=O)CCC(=O)N
• InChI: 1S/C65H124N4O12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-55(71)53(46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)63(76)69-58-60(59(73)56(50-70)81-65(58)79)80-52(4)62(75)67-51(3)61(74)68-54(64(77)78)48-49-57(66)72/h51-56,58-60,65,70-71,73,79H,5-50H2,1-4H3,(H2,66,72)(H,67,75)(H,68,74)(H,69,76)(H,77,78)/t51-,52?,53?,54+,55?,56+,58+,59+,60+,65-/m0/s1
• InChIKey: BGKQFDBPGUSNRD-IMFIRNKVSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 1185.227°C at 760 mmHg (Cal.)
• Flash point: 670.601°C (Cal.)