5-[2-[[2-[[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Sulfanylacetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
[CAS# 76709-18-7]

Identification

• Name: 5-[2-[[2-[[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Sulfanylacetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
• Synonyms: 5-[2-[[2-[[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Sulfanylacetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid; 5-[2-[[2-[[[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Thio]-1-Oxoethyl]Amino]Ethylamino]-1-Naphthalenesulfonic Acid; 5-[2-[[2-[[[[[(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Thio]Acetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
• Molecular Formula: C₂₄H₃₀N₇O₁₇P₃S₂
• Molecular Weight: 845.58
• CAS Registry Number: 76709-18-7
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=O)N=C(N3)N)CO[P](O[P](O[P](SCC(=O)NCCNC4=CC=CC5=C4C=CC=C5[S](O)(=O)=O)(O)=O)(O)=O)(O)=O
• InChI: 1S/C24H30N7O17P3S2/c25-24-29-21-18(22(35)30-24)28-11-31(21)23-20(34)19(33)15(46-23)9-45-49(36,37)47-50(38,39)48-51(40,41)52-10-17(32)27-8-7-26-14-5-1-4-13-12(14)3-2-6-16(13)53(42,43)44/h1-6,11,15,19-20,23,26,33-34H,7-10H2,(H,27,32)(H,36,37)(H,38,39)(H,40,41)(H,42,43,44)(H3,25,29,30,35)/t15-,19-,20-,23-/m1/s1
• InChIKey: FTQQIVREXSHYRP-NSOPBCBCSA-N

Properties

• Density: 2.125g/cm³ (Cal.)