5-[2-[[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
[CAS# 102415-55-4]

Identification

• Name: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
• Synonyms: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid; 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]Ethylamino]-1-Naphthalenesulfonic Acid; 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
• Molecular Formula: C₂₂H₂₈N₇O₁₅P₃S
• Molecular Weight: 755.48
• CAS Registry Number: 102415-55-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)NCCNC2=C3C(=CC=C2)C(=CC=C3)[S](=O)(=O)O)(=O)O)(=O)O)[N]5C4=NC=NC(=C4N=C5)N
• InChI: 1S/C22H28N7O15P3S/c23-20-17-21(26-10-25-20)29(11-27-17)22-19(31)18(30)15(42-22)9-41-46(34,35)44-47(36,37)43-45(32,33)28-8-7-24-14-5-1-4-13-12(14)3-2-6-16(13)48(38,39)40/h1-6,10-11,15,18-19,22,24,30-31H,7-9H2,(H,34,35)(H,36,37)(H2,23,25,26)(H2,28,32,33)(H,38,39,40)/t15-,18-,19-,22-/m1/s1
• InChIKey: KRFAVSHDVRABPO-CIVUBGFFSA-N

Properties

• Density: 2.115g/cm³ (Cal.)