Deoxyadenylyl-(3'-5')-Deoxycytidylyl-(3'-5')-Deoxyadenosine
[CAS# 70419-16-8]

Identification

• Name: Deoxyadenylyl-(3'-5')-Deoxycytidylyl-(3'-5')-Deoxyadenosine
• Synonyms: [(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy]-2-[(2S,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Ethyl]-5-(6-Aminopurin-9-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy]-2-[(2S,3S,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Ethyl]-5-(6-Amino-9-Purinyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy]-2-[(2S,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Ethyl]-5-(6-Aminopurin-9-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₂₉H₃₇N₁₃O₁₄P₂
• Molecular Weight: 853.64
• CAS Registry Number: 70419-16-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)C1)CC(OC[C@H]3O[C@@H](N2C(=O)N=C(N)C=C2)C[C@@H]3O[P](=O)(O)O)[C@H]6O[C@@H]([N]4C5=C(N=C4)C(=NC=N5)N)C[C@@H]6O)[N]7C8=C(N=C7)C(=NC=N8)N
• InChI: 1S/C29H37N13O14P2/c30-18-1-2-40(29(44)39-18)20-6-15(56-58(48,49)50)17(53-20)7-51-16(24-12(43)3-19(54-24)41-10-37-22-25(31)33-8-35-27(22)41)4-13-14(55-57(45,46)47)5-21(52-13)42-11-38-23-26(32)34-9-36-28(23)42/h1-2,8-17,19-21,24,43H,3-7H2,(H2,30,39,44)(H2,31,33,35)(H2,32,34,36)(H2,45,46,47)(H2,48,49,50)/t12-,13+,14-,15-,16?,17+,19+,20+,21+,24-/m0/s1
• InChIKey: YAKLLFOEUQFXLI-PQKNJGAISA-N

Properties

• Density: 2.229g/cm³ (Cal.)
• Boiling point: 1251.644°C at 760 mmHg (Cal.)
• Flash point: 710.769°C (Cal.)