N-Acetylmuramyl-Alanyl-Isoglutamine-Alanyl-Cholesterol
[CAS# 99518-28-2]

Identification

• Name: N-Acetylmuramyl-Alanyl-Isoglutamine-Alanyl-Cholesterol
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-2,3-Dihydroxy-3-Methoxy-Propo
• Molecular Formula: C₄₉H₈₁N₅O₁₂
• Molecular Weight: 932.21
• CAS Registry Number: 99518-28-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]([C@H](O)[C@@H](OC)O)[C@@H](NC(=O)C)C=O)C)C)C(=O)N)C)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C49H81N5O12/c1-26(2)12-11-13-27(3)35-16-17-36-34-15-14-32-24-33(20-22-48(32,8)37(34)21-23-49(35,36)9)66-46(62)29(5)51-40(57)19-18-38(43(50)59)54-44(60)28(4)52-45(61)30(6)65-42(41(58)47(63)64-10)39(25-55)53-31(7)56/h14,25-30,33-39,41-42,47,58,63H,11-13,
• InChIKey: FOSDGASZBITTMS-IAPUFQLFSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 1121.035°C at 760 mmHg (Cal.)
• Flash point: 631.779°C (Cal.)