2-Amino-7-(3-Chloro-2-Hydroxypropyl)-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-9-Ium-6-One
[CAS# 104783-29-1]

Identification

• Name: 2-Amino-7-(3-Chloro-2-Hydroxypropyl)-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-9-Ium-6-One
• Synonyms: 2-Amino-7-(3-Chloro-2-Hydroxy-Propyl)-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purin-9-Ium-6-One; 2-Amino-7-(3-Chloro-2-Hydroxypropyl)-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-3H-Purin-9-Ium-6-One; 2-Amino-7-(3-Chloro-2-Hydroxy-Propyl)-9-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-3H-Purin-9-Ium-6-One
• Molecular Formula: C₁₃H₁₉ClN₅O₅
• Molecular Weight: 360.78
• CAS Registry Number: 104783-29-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C([N+](=C2)CC(O)CCl)C(=O)N=C(N3)N
• InChI: 1S/C13H18ClN5O5/c14-2-6(21)3-18-5-19(9-1-7(22)8(4-20)24-9)11-10(18)12(23)17-13(15)16-11/h5-9,20-22H,1-4H2,(H2-,15,16,17,23)/p+1/t6?,7-,8+,9+/m0/s1
• InChIKey: ZZRJGNBCAVAWAM-GSLILNRNSA-O