Biotin-36-dutp
[CAS# 145396-04-9]

Identification

• Name: Biotin-36-dutp
• Synonyms: [5-[2,4-Dioxo-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Hexanoylamino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Prop-1-Ynyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [5-[2,4-Dioxo-5-[3-[2-[2-[2-[2-[2-[2-[[1-Oxo-6-[[1-Oxo-6-[[1-Oxo-5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentyl]Amino]Hexyl]Amino]Hexyl]Amino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Prop-1-Ynyl]-1-Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [5-[2,4-Diketo-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Hexanoylamino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Prop-1-Ynyl]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₄₆H₇₈N₇O₂₄P₃S
• Molecular Weight: 1238.14
• CAS Registry Number: 145396-04-9
• SMILES: C(C#CC1=CN(C(NC1=O)=O)C2CC(C(CO[P](O[P](O[P](O)(=O)O)(=O)O)(=O)O)O2)O)OCCOCCOCCOCCOCCOCCNC(CCCCCNC(CCCCCNC(CCCCC3SCC4C3NC(N4)=O)=O)=O)=O
• InChI: 1S/C46H78N7O24P3S/c54-36-30-42(75-37(36)32-74-79(64,65)77-80(66,67)76-78(61,62)63)53-31-34(44(58)52-46(53)60)10-9-18-68-20-22-70-24-26-72-28-29-73-27-25-71-23-21-69-19-17-49-41(57)13-4-2-8-15-47-39(55)12-3-1-7-16-48-40(56)14-6-5-11-38-43-35(33-81-38)50-45(59)51-43/h31,35-38,42-43,54H,1-8,11-30,32-33H2,(H,47,55)(H,48,56)(H,49,57)(H,64,65)(H,66,67)(H2,50,51,59)(H,52,58,60)(H2,61,62,63)
• InChIKey: XCTWELOHSVXDPX-UHFFFAOYSA-N