(2S,3S,4R,5R)-3-{[(2S)-2-Amino-3-(4-methoxyphenyl)propanoyl]amino}-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-2-furancarboxylic acid dihydrochloride
[CAS# 86936-92-7]

Identification

• Name: (2S,3S,4R,5R)-3-{[(2S)-2-Amino-3-(4-methoxyphenyl)propanoyl]amino}-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-2-furancarboxylic acid dihydrochloride
• Synonyms: Chryscandin dihydrochloride hydrate; FR-48736 dihydrochloride hydrate; WF-4629 dihydrochloride hydrate
• Molecular Formula: C₂₀H₂₅Cl₂N₇O₆
• Molecular Weight: 530.36
• CAS Registry Number: 86936-92-7
• SMILES: Cl.Cl.O=C(O)[C@H]4O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]4NC(=O)[C@@H](N)Cc3ccc(OC)cc3
• InChI: 1S/C20H23N7O6.2ClH/c1-32-10-4-2-9(3-5-10)6-11(21)18(29)26-12-14(28)19(33-15(12)20(30)31)27-8-25-13-16(22)23-7-24-17(13)27;;/h2-5,7-8,11-12,14-15,19,28H,6,21H2,1H3,(H,26,29)(H,30,31)(H2,22,23,24);2*1H/t11-,12-,14+,15-,19+;;/m0../s1
• InChIKey: PBBILRIVIKRJIY-IGNNWOBTSA-N