3-(5-((N-Biotinyl-6-aminocaproyl)amino)pentyl)-1-(2-deoxyerythropentofuranosyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine-5'-triphosphate
[CAS# 137823-47-3]

Identification

• Name: 3-(5-((N-Biotinyl-6-aminocaproyl)amino)pentyl)-1-(2-deoxyerythropentofuranosyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine-5'-triphosphate
• Synonyms: [(2R,3S)-5-[3-[5-[6-[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]Hexanoylamino]Pentyl]-4-Amino-Pyrazolo[5,4-D]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S)-5-[3-[5-[[6-[[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]Pentyl]-4-Amino-1-Pyrazolo[5,4-D]Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S)-5-[3-[5-[6-[5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]Hexanoylamino]Pentyl]-4-Amino-Pyrazolo[5,4-D]Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₃₁H₅₂N₉O₁₅P₃S
• Molecular Weight: 915.78
• CAS Registry Number: 137823-47-3
• SMILES: [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)NCCCCCC(=O)NCCCCCC3=N[N](C4=C3C(=NC=N4)N)C5O[C@@H]([C@@H](O)C5)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O
• InChI: 1S/C31H52N9O15P3S/c32-29-27-19(39-40(30(27)36-18-35-29)26-15-21(41)22(53-26)16-52-57(48,49)55-58(50,51)54-56(45,46)47)9-3-1-7-13-33-24(42)11-4-2-8-14-34-25(43)12-6-5-10-23-28-20(17-59-23)37-31(44)38-28/h18,20-23,26,28,41H,1-17H2,(H,33,42)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,37,38,44)(H2,45,46,47)/t20-,21-,22+,23-,26?,28-/m0/s1
• InChIKey: IAOHLYSIIUCHRD-AWCCZRSHSA-N

Properties

• Density: 1.834g/cm³ (Cal.)