Sodium 3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxyoxolan-2-Yl]Purin-2-Yl]Amino]Ethyl]Phenyl]Propanoate
[CAS# 120225-64-1]

Identification

• Name: Sodium 3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxyoxolan-2-Yl]Purin-2-Yl]Amino]Ethyl]Phenyl]Propanoate
• Synonyms: Sodium 3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purin-2-Yl]Amino]Ethyl]Phenyl]Propanoic Acid; Sodium 3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2-Purinyl]Amino]Ethyl]Phenyl]Propanoic Acid; Sodium 3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purin-2-Yl]Amino]Ethyl]Phenyl]Propionic Acid
• Molecular Formula: C₂₃H₂₉N₇NaO₆
• Molecular Weight: 522.52
• CAS Registry Number: 120225-64-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC)[N]2C3=C(N=C2)C(=NC(=N3)NCCC4=CC=C(C=C4)CCC(O)=O)N.[Na+]
• InChI: 1S/C23H29N7O6.Na/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);/q;+1/t16-,17+,18-,22+;/m0./s1
• InChIKey: NRYCRDCUHXETEK-MJWSIIAUSA-N