(3S,4S,5R)-5-[(6-aminopurin-9-yl)-methoxy-methyl]-4-azido-3-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (3S,4S,5R)-5-[(6-aminopurin-9-yl)-methoxy-methyl]-4-azido-3-(hydroxymethyl)oxolan-3-ol Openeye Name: (3S,4S,5R)-5-[(6-aminopurin-9-yl)-methoxy-methyl]-4-azido-3-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (3S,4S,5R)-5-[(6-aminopurin-9-yl)-methoxymethyl]-4-azido-3-(hydroxymethyl)-3-oxolanol IUPAC Name: (3S,4S,5R)-5-[(6-aminopurin-9-yl)-methoxymethyl]-4-azido-3-(hydroxymethyl)oxolan-3-ol Traditional Name: (3S,4S,5R)-5-[adenin-9-yl(methoxy)methyl]-4-azido-3-methylol-tetrahydrofuran-3-ol Formula: C12H16N8O4 MolecularWeight: 336.30664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1C(C(CO1)(CO)O)N=[N+]=[N-])N2C=NC3=C2N=CN=C3N

Isomeric SMILES

COC([C@H]1[C@@H]([C@@](CO1)(CO)O)N=[N+]=[N-])N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H16N8O4/c1-23-11(7-8(18-19-14)12(22,2-21)3-24-7)20-5-17-6-9(13)15-4-16-10(6)20/h4-5,7-8,11,21-22H,2-3H2,1H3,(H2,13,15,16)/t7-,8+,11?,12+/m1/s1