(2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Methylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS 3128-30-1]

Identification

• Name: (2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Methylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Methylamino]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Methylamino]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Methylamino]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₂₁H₂₆N₁₀O₈
• Molecular Weight: 546.50
• CAS Registry Number: 3128-30-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)NCNC4=NC=NC5=C4N=C[N]5[C@@H]6O[C@@H]([C@@H](O)[C@H]6O)CO
• InChI: 1S/C21H26N10O8/c32-1-8-12(34)14(36)20(38-8)30-6-28-10-16(24-4-26-18(10)30)22-3-23-17-11-19(27-5-25-17)31(7-29-11)21-15(37)13(35)9(2-33)39-21/h4-9,12-15,20-21,32-37H,1-3H2,(H,22,24,26)(H,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
• InChIKey: LZYDDSMPHLWIAE-NAGRZYTCSA-N

Properties

• Density: 2.145g/cm³ (Cal.)
• Boiling point: 1093.377°C at 760 mmHg (Cal.)
• Flash point: 615.052°C (Cal.)