2-(6-Aminopurin-9-Yl)-5-(1,2-Dihydroxy-2-Oxoethyl)-3-Hydroxy-3,3a-Dihydro-2H-Furo[5,4-d]Furan-5-Carboxylic Acid
[CAS# 79030-08-3]

Identification

• Name: 2-(6-Aminopurin-9-Yl)-5-(1,2-Dihydroxy-2-Oxoethyl)-3-Hydroxy-3,3a-Dihydro-2H-Furo[5,4-d]Furan-5-Carboxylic Acid
• Synonyms: 2-(6-Aminopurin-9-Yl)-5-(1,2-Dihydroxy-2-Oxo-Ethyl)-3-Hydroxy-3,3A-Dihydro-2H-Furo[5,4-D]Furan-5-Carboxylic Acid; 2-(6-Amino-9-Purinyl)-5-(1,2-Dihydroxy-2-Oxoethyl)-3-Hydroxy-3,3A-Dihydro-2H-Furo[5,4-D]Furan-5-Carboxylic Acid; 2-(6-Aminopurin-9-Yl)-5-(1,2-Dihydroxy-2-Keto-Ethyl)-3-Hydroxy-3,3A-Dihydro-2H-Furo[5,4-D]Furan-5-Carboxylic Acid
• Molecular Formula: C₁₄H₁₃N₅O₈
• Molecular Weight: 379.29
• CAS Registry Number: 79030-08-3
• SMILES: C1=NC4=C([N]1C3OC2=CC(OC2C3O)(C(O)C(=O)O)C(=O)O)N=CN=C4N
• InChI: 1S/C14H13N5O8/c15-9-5-10(17-2-16-9)19(3-18-5)11-6(20)7-4(26-11)1-14(27-7,13(24)25)8(21)12(22)23/h1-3,6-8,11,20-21H,(H,22,23)(H,24,25)(H2,15,16,17)
• InChIKey: IAPZXUKYTCQQFE-UHFFFAOYSA-N

Properties

• Density: 2.263g/cm³ (Cal.)
• Boiling point: 953.252°C at 760 mmHg (Cal.)
• Flash point: 530.308°C (Cal.)