(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Systemtic Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Openeye Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol CAS Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Traditional Name: (4aR,6R,7R,7aS)-6-adenin-9-yl-2-(4,5-dimethoxy-2-nitro-benzyl)oxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol Formula: C19H21N6O10P MolecularWeight: 524.378001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COP2(=O)OCC3C(O2)C(C(O3)N4C=NC5=C4N=CN=C5N)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COP2(=O)OC[C@@H]3[C@@H](O2)[C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N6O10P/c1-30-11-3-9(10(25(27)28)4-12(11)31-2)5-32-36(29)33-6-13-16(35-36)15(26)19(34-13)24-8-23-14-17(20)21-7-22-18(14)24/h3-4,7-8,13,15-16,19,26H,5-6H2,1-2H3,(H2,20,21,22)/t13-,15-,16-,19-,36?/m1/s1