[(2R)-1-[Hydroxy-[2-[[3-[3-(Trifluoromethyl)Diazirin-3-Yl]Phenyl]Carbamothioylamino]Ethoxy]Phosphoryl]Oxy-3-Tetradecanoyloxypropan-2-Yl] Tetradecanoate
[CAS# 137043-97-1]

Identification

• Name: [(2R)-1-[Hydroxy-[2-[[3-[3-(Trifluoromethyl)Diazirin-3-Yl]Phenyl]Carbamothioylamino]Ethoxy]Phosphoryl]Oxy-3-Tetradecanoyloxypropan-2-Yl] Tetradecanoate
• Synonyms: [(1R)-1-[[Hydroxy-[2-[[3-[3-(Trifluoromethyl)Diazirin-3-Yl]Phenyl]Carbamothioylamino]Ethoxy]Phosphoryl]Oxymethyl]-2-Tetradecanoyloxy-Ethyl] Tetradecanoate; Tetradecanoic Acid [(1R)-1-[[Hydroxy-[2-[[Thioxo-[[3-[3-(Trifluoromethyl)-3-Diazirinyl]Phenyl]Amino]Methyl]Amino]Ethoxy]Phosphoryl]Oxymethyl]-2-(1-Oxotetradecoxy)Ethyl] Ester; Myristic Acid [(1R)-1-[[Hydroxy-[2-[[3-[3-(Trifluoromethyl)Diazirin-3-Yl]Phenyl]Thiocarbamoylamino]Ethoxy]Phosphoryl]Oxymethyl]-2-Tetradecanoyloxy-Ethyl] Ester
• Molecular Formula: C₄₂H₇₀F₃N₄O₈PS
• Molecular Weight: 879.07
• CAS Registry Number: 137043-97-1
• SMILES: [C@@H](CO[P](OCCNC(NC1=CC=CC(=C1)C2(N=N2)C(F)(F)F)=S)(O)=O)(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
• InChI: 1S/C42H70F3N4O8PS/c1-3-5-7-9-11-13-15-17-19-21-23-28-38(50)54-33-37(57-39(51)29-24-22-20-18-16-14-12-10-8-6-4-2)34-56-58(52,53)55-31-30-46-40(59)47-36-27-25-26-35(32-36)41(48-49-41)42(43,44)45/h25-27,32,37H,3-24,28-31,33-34H2,1-2H3,(H,52,53)(H2,46,47,59)/t37-/m1/s1
• InChIKey: AFJGDBXIBOKHSG-DIPNUNPCSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 832.042°C at 760 mmHg (Cal.)
• Flash point: 457.003°C (Cal.)