[(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-Acetyloxy-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Ethylamino]Purin-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl] 2-Aminoacetate
[CAS# 73681-43-3]

Identification

• Name: [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-Acetyloxy-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Ethylamino]Purin-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl] 2-Aminoacetate
• Synonyms: [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-Acetoxy-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Ethylamino]Purin-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] 2-Aminoacetate; 2-Aminoacetic Acid [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-Acetoxy-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Ethylamino]-9-Purinyl]-4-Hydroxy-5-(Hydroxymethyl)-3-Tetrahydrofuranyl] Ester; 2-Aminoacetic Acid [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-Acetoxy-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Ethylamino]Purin-9-Yl]-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₆H₃₃N₁₁O₁₀
• Molecular Weight: 659.61
• CAS Registry Number: 73681-43-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1OC(=O)CN)CO)[N]2C3=C(N=C2)C(=NC=N3)NCCNC4=NC=NC5=C4N=C[N]5[C@@H]6O[C@@H]([C@@H](O)[C@H]6OC(=O)C)CO
• InChI: 1S/C26H33N11O10/c1-11(40)44-19-17(42)12(5-38)45-25(19)36-9-34-15-21(30-7-32-23(15)36)28-2-3-29-22-16-24(33-8-31-22)37(10-35-16)26-20(47-14(41)4-27)18(43)13(6-39)46-26/h7-10,12-13,17-20,25-26,38-39,42-43H,2-6,27H2,1H3,(H,28,30,32)(H,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1
• InChIKey: SWEBIRDELTYPIK-DQSURDJZSA-N

Properties

• Density: 1.92g/cm³ (Cal.)
• Boiling point: 1039.871°C at 760 mmHg (Cal.)
• Flash point: 582.693°C (Cal.)