(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; [(2R,3R,4R)-1,2-bis(oxidanyl)-5-oxidanylidene-4-phosphonooxy-pentan-3-yl] dihydrogen phosphate

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; [(2R,3R,4R)-1,2-bis(oxidanyl)-5-oxidanylidene-4-phosphonooxy-pentan-3-yl] dihydrogen phosphate Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; [(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-3-oxo-2-phosphonooxy-propyl] dihydrogen phosphate CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; [(2R,3R,4R)-1,2-dihydroxy-5-oxo-4-phosphonooxypentan-3-yl] dihydrogen phosphate IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; [(2R,3R,4R)-1,2-dihydroxy-5-oxo-4-phosphonooxypentan-3-yl] dihydrogen phosphate Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; [(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-3-keto-2-phosphonooxy-propyl] dihydrogen phosphate Formula: C15H25N5O15P2 MolecularWeight: 577.331022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C(C(C(C(C=O)OP(=O)(O)O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.C([C@H]([C@H]([C@H](C=O)OP(=O)(O)O)OP(=O)(O)O)O)O

InChI

InChI=1S/C10H13N5O4.C5H12O11P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;6-1-3(8)5(16-18(12,13)14)4(2-7)15-17(9,10)11/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);2-6,8H,1H2,(H2,9,10,11)(H2,12,13,14)/t4-,6-,7-,10-;3-,4+,5-/m11/s1