4-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Butanamide Hydrochloride
[CAS# 104124-24-5]

Identification

• Name: 4-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Butanamide Hydrochloride
• Synonyms: 4-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Butanamide Hydrochloride; 4-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Butanamide Hydrochloride; 4-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Butyramide Hydrochloride
• Molecular Formula: C₁₄H₂₁ClN₆O₅
• Molecular Weight: 388.81
• CAS Registry Number: 104124-24-5
• SMILES: [C@H]1(O)[C@H](O[C@@H]([C@H]1O)CO)[N]3C2=NC=NC(=C2N=C3)NCCCC(=O)N.[H+].[Cl-]
• InChI: 1S/C14H20N6O5.ClH/c15-8(22)2-1-3-16-12-9-13(18-5-17-12)20(6-19-9)14-11(24)10(23)7(4-21)25-14;/h5-7,10-11,14,21,23-24H,1-4H2,(H2,15,22)(H,16,17,18);1H/t7-,10-,11-,14+;/m1./s1
• InChIKey: ANKQVAAKIRTOAJ-ZIDHJXBMSA-N

Properties

• Boiling point: 822°C at 760 mmHg (Cal.)
• Flash point: 450.9°C (Cal.)