2-Amino-5-[[[(1S,4S,5R)-4,5-Dihydroxy-1-Cyclopent-2-Enyl]Amino]Methyl]-1,7-Dihydropyrrolo[3,2-e]Pyrimidin-4-One
[CAS# 72496-59-4]

Identification

• Name: 2-Amino-5-[[[(1S,4S,5R)-4,5-Dihydroxy-1-Cyclopent-2-Enyl]Amino]Methyl]-1,7-Dihydropyrrolo[3,2-e]Pyrimidin-4-One
• Synonyms: 4H-Pyrrolo(2,3-D)Pyrimidin-4-One, 2-Amino-5-(((4,5-Dihydroxy-2-Cyclopenten-1-Yl)Amino)Methyl)-1,7-Dihydro-, (1S-(1Alpha,4Beta,5Beta))-; Q Base; 2-Amino-5-{[(1S,4S,5R)-4,5-Dihydroxycyclopent-2-En-1-Ylamino]Methyl}-3,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One
• Molecular Formula: C₁₂H₁₅N₅O₃
• Molecular Weight: 277.28
• CAS Registry Number: 72496-59-4
• SMILES: [C@@H]3(NCC1=C[NH]C2=C1C(=O)N=C(N2)N)[C@@H](O)[C@@H](O)C=C3
• InChI: 1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1
• InChIKey: WYROLENTHWJFLR-ACLDMZEESA-N

Properties

• Density: 1.876g/cm³ (Cal.)
• Boiling point: 626.261°C at 760 mmHg (Cal.)
• Flash point: 332.551°C (Cal.)