2'-Deoxyadenylyl-(3'-5')-2'-Deoxyadenylyl-(3'-5)-2'-Deoxyadenosine
[CAS# 25138-00-5]

Identification

• Name: 2'-Deoxyadenylyl-(3'-5')-2'-Deoxyadenylyl-(3'-5)-2'-Deoxyadenosine
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-[2-[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-1-[[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy]Ethyl]Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-9-Purinyl)-2-[2-[(2R,3S,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]-1-[[(2R,3S,5R)-5-(6-Amino-9-Purinyl)-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy]Ethyl]-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-[2-[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Oxolan-2-Yl]-1-[[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Phosphonooxy-Oxolan-2-Yl]Methoxy]Ethyl]Oxolan-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₃₀H₃₇N₁₅O₁₃P₂
• Molecular Weight: 877.66
• CAS Registry Number: 25138-00-5
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C(=NC=N2)N)C[C@@H]3O[P](=O)(O)O)C(OC[C@H]6O[C@@H]([N]4C5=C(N=C4)C(=NC=N5)N)C[C@@H]6O[P](=O)(O)O)C[C@H]9O[C@@H]([N]7C8=C(N=C7)C(=NC=N8)N)C[C@@H]9O
• InChI: 1S/C30H37N15O13P2/c31-25-21-28(37-6-34-25)43(9-40-21)18-1-12(46)13(54-18)2-15(24-16(58-60(50,51)52)4-20(56-24)45-11-42-23-27(33)36-8-39-30(23)45)53-5-17-14(57-59(47,48)49)3-19(55-17)44-10-41-22-26(32)35-7-38-29(22)44/h6-20,24,46H,1-5H2,(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,47,48,49)(H2,50,51,52)/t12-,13+,14-,15?,16-,17+,18+,19+,20+,24+/m0/s1
• InChIKey: IRSGJDDINALTQP-PBCDLORESA-N