(2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Dodecylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 111863-65-1]

Identification

• Name: (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Dodecylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Dodecylamino]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Dodecylamino]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Dodecylamino]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₃₂H₄₈N₁₀O₈
• Molecular Weight: 700.79
• CAS Registry Number: 111863-65-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)NCCCCCCCCCCCCNC4=NC=NC5=C4N=C[N]5[C@@H]6O[C@@H]([C@@H](O)[C@H]6O)CO
• InChI: 1S/C32H48N10O8/c43-13-19-23(45)25(47)31(49-19)41-17-39-21-27(35-15-37-29(21)41)33-11-9-7-5-3-1-2-4-6-8-10-12-34-28-22-30(38-16-36-28)42(18-40-22)32-26(48)24(46)20(14-44)50-32/h15-20,23-26,31-32,43-48H,1-14H2,(H,33,35,37)(H,34,36,38)/t19-,20-,23-,24-,25-,26-,31-,32-/m1/s1
• InChIKey: UDFZRMFWXQQYTB-YHOFCQOESA-N

Properties

• Density: 1.626g/cm³ (Cal.)
• Boiling point: 1029.906°C at 760 mmHg (Cal.)
• Flash point: 576.667°C (Cal.)