2-(6-Aminopurin-9-Yl)-5-[2-(2,2-Dimethylpropanoyloxymethoxy)-1-Hydroxy-2-Oxoethyl]-3-Hydroxy-3,3alpha-Dihydro-2H-Furo[5,4-d]Furan-5-Carboxylic Acid
[CAS# 124254-35-9]

Identification

• Name: 2-(6-Aminopurin-9-Yl)-5-[2-(2,2-Dimethylpropanoyloxymethoxy)-1-Hydroxy-2-Oxoethyl]-3-Hydroxy-3,3alpha-Dihydro-2H-Furo[5,4-d]Furan-5-Carboxylic Acid
• Synonyms: 2-(6-Aminopurin-9-Yl)-5-[2-(2,2-Dimethylpropanoyloxymethoxy)-1-Hydroxy-2-Oxo-Ethyl]-3-Hydroxy-3,3A-Dihydro-2H-Furo[5,4-D]Furan-5-Carboxylic Acid; 2-(6-Amino-9-Purinyl)-5-[2-[(2,2-Dimethyl-1-Oxopropoxy)Methoxy]-1-Hydroxy-2-Oxoethyl]-3-Hydroxy-3,3A-Dihydro-2H-Furo[5,4-D]Furan-5-Carboxylic Acid; 2-(6-Aminopurin-9-Yl)-3-Hydroxy-5-[1-Hydroxy-2-Keto-2-(Pivaloyloxymethoxy)Ethyl]-3,3A-Dihydro-2H-Furo[5,4-D]Furan-5-Carboxylic Acid
• Molecular Formula: C₂₀H₂₃N₅O₁₀
• Molecular Weight: 493.43
• CAS Registry Number: 124254-35-9
• SMILES: C1=NC4=C([N]1C3C(C2OC(C=C2O3)(C(C(OCOC(C(C)(C)C)=O)=O)O)C(O)=O)O)N=CN=C4N
• InChI: 1S/C20H23N5O10/c1-19(2,3)18(31)33-7-32-16(28)12(27)20(17(29)30)4-8-11(35-20)10(26)15(34-8)25-6-24-9-13(21)22-5-23-14(9)25/h4-6,10-12,15,26-27H,7H2,1-3H3,(H,29,30)(H2,21,22,23)
• InChIKey: ZGMPXNIZYNPUMN-UHFFFAOYSA-N

Properties

• Density: 1.765g/cm³ (Cal.)
• Boiling point: 829.829°C at 760 mmHg (Cal.)
• Flash point: 455.664°C (Cal.)