(2S)-2-[(4-Azido-2-Hydroxy-3-Iodobenzoyl)Amino]-3-[Hydroxy-[(2R)-3-Octadecanoyloxy-2-[(Z)-Octadec-9-Enoyl]Oxypropoxy]Phosphoryl]Oxypropanoic Acid
[CAS# 124155-78-8]

Identification

• Name: (2S)-2-[(4-Azido-2-Hydroxy-3-Iodobenzoyl)Amino]-3-[Hydroxy-[(2R)-3-Octadecanoyloxy-2-[(Z)-Octadec-9-Enoyl]Oxypropoxy]Phosphoryl]Oxypropanoic Acid
• Synonyms: (2S)-2-[(4-Azido-2-Hydroxy-3-Iodo-Benzoyl)Amino]-3-[Hydroxy-[(2R)-3-Octadecanoyloxy-2-[(Z)-Octadec-9-Enoyl]Oxy-Propoxy]Phosphoryl]Oxy-Propanoic Acid; (2S)-2-[[(4-Azido-2-Hydroxy-3-Iodophenyl)-Oxomethyl]Amino]-3-[Hydroxy-[(2R)-2-[(Z)-1-Oxooctadec-9-Enoxy]-3-(1-Oxooctadecoxy)Propoxy]Phosphoryl]Oxypropanoic Acid; (2S)-2-[(4-Azido-2-Hydroxy-3-Iodo-Benzoyl)Amino]-3-[Hydroxy-[(2R)-2-[(Z)-Octadec-9-Enoyl]Oxy-3-Stearoyloxy-Propoxy]Phosphoryl]Oxy-Propionic Acid
• Molecular Formula: C₄₉H₈₂IN₄O₁₂P
• Molecular Weight: 1077.08
• CAS Registry Number: 124155-78-8
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C(=C1O)I)N=[N+]=[N-])=O)CO[P](=O)(O)OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCC\C=C/CCCCCCCC)=O
• InChI: 1S/C49H82IN4O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(55)63-37-40(66-45(56)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-64-67(61,62)65-39-43(49(59)60)52-48(58)41-35-36-42(53-54-51)46(50)47(41)57/h18,20,35-36,40,43,57H,3-17,19,21-34,37-39H2,1-2H3,(H,52,58)(H,59,60)(H,61,62)/b20-18-/t40-,43+/m1/s1
• InChIKey: GMXUBNQSYSYDKU-UYJAKLHWSA-N