[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]methyl]phosphinate; tert-butylazanium

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]methyl]phosphinate; tert-butylazanium Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]methyl]phosphinate; tert-butylammonium CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]methyl]phosphinate; tert-butylammonium IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]methyl]phosphinate; tert-butylazanium Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-keto-3H-purin-2-yl]methyl]phosphinate; tert-butylammonium Formula: C25H37N10O11P MolecularWeight: 684.595441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH3+].C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(CC4=NC(=O)C5=C(N4)N(C=N5)C6C(C(C(O6)CO)O)O)[O-])O)O

Isomeric SMILES

CC(C)(C)[NH3+].C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC4=NC(=O)C5=C(N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)[O-])O)O

InChI

InChI=1S/C21H26N9O11P.C4H11N/c22-16-10-17(24-4-23-16)29(5-25-10)20-15(35)13(33)8(41-20)2-39-42(37,38)3-9-27-18-11(19(36)28-9)26-6-30(18)21-14(34)12(32)7(1-31)40-21;1-4(2,3)5/h4-8,12-15,20-21,31-35H,1-3H2,(H,37,38)(H2,22,23,24)(H,27,28,36);5H2,1-3H3/t7-,8-,12-,13-,14-,15-,20-,21-;/m1./s1