(2S)-N-[[(2R,3S,4R,5R)-5-(6-Amino-8-Oxo-7H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Methoxyphosphoryl]Pyrrolidine-2-Carboxamide
[CAS 134966-01-1]

Identification

• Name: (2S)-N-[[(2R,3S,4R,5R)-5-(6-Amino-8-Oxo-7H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Methoxyphosphoryl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-N-[[(2R,3S,4R,5R)-5-(6-Amino-8-Oxo-7H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Methoxy-Phosphoryl]Pyrrolidine-2-Carboxamide; (2S)-N-[[(2R,3S,4R,5R)-5-(6-Amino-8-Oxo-7H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Methoxyphosphoryl]-2-Pyrrolidinecarboxamide; (2S)-N-[[(2R,3S,4R,5R)-5-(6-Amino-8-Keto-7H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Methoxy-Phosphoryl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₆H₂₄N₇O₈P
• Molecular Weight: 473.38
• CAS Registry Number: 134966-01-1
• SMILES: [C@H]3(N1C(NC2=C1N=CN=C2N)=O)[C@@H]([C@H](O)[C@H](O3)CO[P](NC([C@H]4NCCC4)=O)(=O)OC)O
• InChI: 1S/C16H24N7O8P/c1-29-32(28,22-14(26)7-3-2-4-18-7)30-5-8-10(24)11(25)15(31-8)23-13-9(21-16(23)27)12(17)19-6-20-13/h6-8,10-11,15,18,24-25H,2-5H2,1H3,(H,21,27)(H2,17,19,20)(H,22,26,28)/t7-,8+,10+,11+,15+,32?/m0/s1
• InChIKey: HBJDRXMCLFRSGN-CRDJCKMPSA-N

Properties

• Density: 1.619g/cm³ (Cal.)