[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(2R,3R,4R,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-oxolan-3-yl]oxy-phosphinic acid
Molecular Formula:
C37H43N15O16P2
InChI: InChI=1/C37H43N15O16P2/c38-29-20-32(44-10-41-29)50(13-47-20)35-26(57)23(54)18(65-35)8-62-69(58,59)68-28-25(56)19(66-37(28)52-15-49-22-31(43-12-46-34(22)52)40-6-16-4-2-1-3-5-16)9-63-70(60,61)67-27-24(55)17(7-53)64-36(27)51-14-48-21-30(39)42-11-45-33(21)51/h1-5,10-15,17-19,23-28,35-37,53-57H,6-9H2,(H,58,59)(H,60,61)(H2,38,41,44)(H2,39,42,45)(H,40,43,46)/t17-,18-,19-,23-,24-,25-,26-,27-,28-,35-,36-,37-/m1/s1/f/h40,58,60H,38-39H2
InChIKey: InChIKey=SJMRGYVWPLXQHJ-MIXYGREBDH
SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)COP(=O)(O)OC5C(C(OC5N6C=NC7=C6N=CN=C7N)CO)O)O)OP(=O)(O)OCC8C(C(C(O8)N9C=NC1=C9N=CN=C1N)O)O
Names:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(2R,3R,4R,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-oxolan-3-yl]oxy-phosphinic acid
Registries:
PubChem CID 10351057
PubChem ID 15362541
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