2'-Deoxyadenylyl-(3'-5')-2'-Deoxyadenosine
[CAS# 23339-45-9]

Identification

• Name: 2'-Deoxyadenylyl-(3'-5')-2'-Deoxyadenosine
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-9-Purinyl)-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] [(2R,3S)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-Methylol-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₅N₁₀O₈P
• Molecular Weight: 564.45
• CAS Registry Number: 23339-45-9
• SMILES: [N]1(C2=C(N=C1)C(=NC=N2)N)C3O[C@@H]([C@@H](O)C3)CO[P](O[C@@H]6[C@H](O[C@@H]([N]4C5=C(N=C4)C(=NC=N5)N)C6)CO)(=O)O
• InChI: 1S/C20H25N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(32)12(37-13)4-35-39(33,34)38-10-2-14(36-11(10)3-31)30-8-28-16-18(22)24-6-26-20(16)30/h5-14,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)/t9-,10-,11+,12+,13?,14+/m0/s1
• InChIKey: VYQONXIMMXHHKS-ILALOAJGSA-N

Properties

• Density: 2.157g/cm³ (Cal.)
• Boiling point: 987.606°C at 760 mmHg (Cal.)
• Flash point: 551.084°C (Cal.)