2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-7-Propyl-3H-Purine-6,8-Dione
[CAS# 126092-77-1]

Identification

• Name: 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-7-Propyl-3H-Purine-6,8-Dione
• Synonyms: 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-Propyl-3H-Purine-6,8-Dione; 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-7-Propyl-3H-Purine-6,8-Dione; 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-7-Propyl-3H-Purine-6,8-Quinone
• Molecular Formula: C₁₃H₁₉N₅O₆
• Molecular Weight: 341.32
• CAS Registry Number: 126092-77-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N2C3=C(N(C2=O)CCC)C(=O)N=C(N3)N
• InChI: 1S/C13H19N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h5,7-8,11,19-21H,2-4H2,1H3,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1
• InChIKey: PSAJQOYVXUWDJK-IOSLPCCCSA-N

Properties

• Density: 1.937g/cm³ (Cal.)
• Boiling point: 586.874°C at 760 mmHg (Cal.)
• Flash point: 308.731°C (Cal.)