(2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-(2-Aminoethylamino)-3-Oxopropyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxyoxolane-2-Carboxamide
[CAS# 126828-50-0]

Identification

• Name: (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-(2-Aminoethylamino)-3-Oxopropyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxyoxolane-2-Carboxamide
• Synonyms: (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-(2-Aminoethylamino)-3-Oxo-Propyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide; (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-(2-Aminoethylamino)-3-Oxopropyl]Phenyl]Ethylamino]-9-Purinyl]-N-Ethyl-3,4-Dihydroxy-2-Tetrahydrofurancarboxamide; (2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[3-(2-Aminoethylamino)-3-Keto-Propyl]Phenyl]Ethylamino]Purin-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide
• Molecular Formula: C₂₅H₃₅N₉O₅
• Molecular Weight: 541.61
• CAS Registry Number: 126828-50-0
• 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)NCCN)N
• InChI: 1S/C25H35N9O5/c1-2-28-23(38)20-18(36)19(37)24(39-20)34-13-31-17-21(27)32-25(33-22(17)34)30-11-9-15-5-3-14(4-6-15)7-8-16(35)29-12-10-26/h3-6,13,18-20,24,36-37H,2,7-12,26H2,1H3,(H,28,38)(H,29,35)(H3,27,30,32,33)/t18-,19+,20-,24+/m0/s1
• InChIKey: UXUFTKZYJYGMGO-CMCWBKRRSA-N

Properties

• Density: 1.558g/cm³ (Cal.)