6-Amino-1-Cyclopropyl-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-2-One
[CAS# 133967-00-7]

Identification

• Name: 6-Amino-1-Cyclopropyl-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-2-One
• Synonyms: 6-Amino-1-Cyclopropyl-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-2-One; 6-Amino-1-Cyclopropyl-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-Purinone; 6-Amino-1-Cyclopropyl-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-2-One
• Molecular Formula: C₁₃H₁₇N₅O₅
• Molecular Weight: 323.31
• CAS Registry Number: 133967-00-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N3C2=NC(=O)N(C(=C2N=C3)N)C4CC4
• InChI: 1S/C13H17N5O5/c14-10-7-11(16-13(22)18(10)5-1-2-5)17(4-15-7)12-9(21)8(20)6(3-19)23-12/h4-6,8-9,12,19-21H,1-3,14H2/t6-,8-,9-,12-/m1/s1
• InChIKey: WHBIVTCTMMRQMU-WOUKDFQISA-N

Properties

• Density: 2.137g/cm³ (Cal.)
• Boiling point: 565.061°C at 760 mmHg (Cal.)
• Flash point: 295.538°C (Cal.)