(phenylmethyl) (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-(6-azanyl-2-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-(6-azanyl-2-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-(6-amino-2-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-pyrrolidine-1-carboxylate CAS Name: (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-(6-amino-2-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-(6-amino-2-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxypyrrolidine-1-carboxylate Traditional Name: (2R,3R,4S)-2-[[[[(2R,3S,4R,5R)-5-(6-amino-2-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H29N9O14P2 MolecularWeight: 717.475782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1C(=O)OCC2=CC=CC=C2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(N=C5N)N=[N+]=[N-])O)O)O)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](N1C(=O)OCC2=CC=CC=C2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=C(N=C5N)N=[N+]=[N-])O)O)O)O

InChI

InChI=1S/C23H29N9O14P2/c24-19-15-20(28-22(27-19)29-30-25)32(10-26-15)21-18(36)17(35)14(45-21)9-44-48(40,41)46-47(38,39)43-8-12-16(34)13(33)6-31(12)23(37)42-7-11-4-2-1-3-5-11/h1-5,10,12-14,16-18,21,33-36H,6-9H2,(H,38,39)(H,40,41)(H2,24,27,28)/t12-,13+,14-,16-,17-,18-,21-/m1/s1