12-(4'-Azido-2'-nitrophenoxy)dodecanoyl-coenzyme A
[CAS# 130766-07-3]

Identification

• Name: 12-(4'-Azido-2'-nitrophenoxy)dodecanoyl-coenzyme A
• Synonyms: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] 12-(4-Azido-2-Nitro-Phenoxy)Dodecanethioate; 12-(4-Azido-2-Nitrophenoxy)Dodecanethioic Acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; 12-(4-Azido-2-Nitro-Phenoxy)Dodecanethioic Acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
• Molecular Formula: C₃₉H₆₀N₁₁O₂₀P₃S
• Molecular Weight: 1127.95
• CAS Registry Number: 130766-07-3
• SMILES: [N+](=NC4=CC(=C(OCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)[C@H](O)C(CO[P](O[P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=NC=N2)N)[C@H](O)[C@@H]3O[P](=O)(O)O)(=O)O)(=O)O)(C)C)=O)C=C4)[N+]([O-])=O)=[N-]
• InChI: 1S/C39H60N11O20P3S/c1-39(2,22-67-73(63,64)70-72(61,62)66-21-28-33(69-71(58,59)60)32(53)38(68-28)49-24-46-31-35(40)44-23-45-36(31)49)34(54)37(55)43-16-15-29(51)42-17-19-74-30(52)12-10-8-6-4-3-5-7-9-11-18-65-27-14-13-25(47-48-41)20-26(27)50(56)57/h13-14,20,23-24,28,32-34,38,53-54H,3-12,15-19,21-22H2,1-2H3,(H,42,51)(H,43,55)(H,61,62)(H,63,64)(H2,40,44,45)(H2,58,59,60)/t28-,32-,33-,34+,38-/m1/s1
• InChIKey: YTTUVWRNKSNZFE-LFZQUHGESA-N