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Molecular Formula: C54H46N8O10
Molecular weight: 966.99064
InChi: InChI=1S/C54H46N8O10/c1-31-5-13-35(14-6-31)51(63)67-25-43-41(71-53(65)37-17-9-33(3)10-18-37)23-45(69-43)61-29-59-47-39(55-27-57-49(47)61)21-22-40-48-50(58-28-56-40)62(30-60-48)46-24-42(72-54(66)38-19-11-34(4)12-20-38)44(70-46)26-68-52(64)36-15-7-32(2)8-16-36/h5-20,27-30,41-46H,23-26H2,1-4H3/t41-,42-,43+,44+,45+,46+/m0/s1
InChi Key: AYUVWLHLOOCVSA-ZOVUOCBOSA-N
SMILES: c12n([C@H]3C[C@@H]([C@H](O3)COC(=O)c3ccc(cc3)C)OC(=O)c3ccc(cc3)C)cnc1c(C#Cc1c3c(n(cn3)[C@H]3C[C@@H]([C@H](O3)COC(=O)c3ccc(cc3)C)OC(=O)c3ccc(cc3)C)ncn1)ncn2
Chemical Name
bis{9-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]purin-6-yl}ethyne
External Links
PubChem