[(3aR,4R,6R,6aR)-4-[6-azanylidene-1-(6-phosphonooxyhexyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-phenylsulfanyl-phosphinic acid

Systemtic Name: [(3aR,4R,6R,6aR)-4-[6-azanylidene-1-(6-phosphonooxyhexyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-phenylsulfanyl-phosphinic acid Openeye Name: [(3aR,4R,6R,6aR)-4-[6-imino-1-(6-phosphonooxyhexyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-phenylsulfanyl-phosphinic acid CAS Name: [(3aR,4R,6R,6aR)-4-[6-imino-1-(6-phosphonooxyhexyl)-9-purinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-(phenylthio)phosphinic acid IUPAC Name: [(3aR,4R,6R,6aR)-4-[6-imino-1-(6-phosphonooxyhexyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-phenylsulfanylphosphinic acid Traditional Name: [(3aR,4R,6R,6aR)-4-[6-imino-1-(6-phosphonooxyhexyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-(phenylthio)phosphinic acid Formula: C25H35N5O10P2S MolecularWeight: 659.585422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN(C4=N)CCCCCCOP(=O)(O)O)COP(=O)(O)SC5=CC=CC=C5)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN(C4=N)CCCCCCOP(=O)(O)O)COP(=O)(O)SC5=CC=CC=C5)C

InChI

InChI=1S/C25H35N5O10P2S/c1-25(2)39-20-18(14-37-42(34,35)43-17-10-6-5-7-11-17)38-24(21(20)40-25)30-16-27-19-22(26)29(15-28-23(19)30)12-8-3-4-9-13-36-41(31,32)33/h5-7,10-11,15-16,18,20-21,24,26H,3-4,8-9,12-14H2,1-2H3,(H,34,35)(H2,31,32,33)/t18-,20-,21-,24-/m1/s1