Molecule ID: 136274446

IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Description: The molecule is a polynucleotide comprised of guanosine units connected via 3'->5' phosphodiester linkages. It contains a GMP 3'-end residue, a GMP 5'-end residue and a guanosine 5'-monophosphate residue.

SMILES: N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@@H]4COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][N][Branch2][Branch2][=C][C@@H1][O][C@H1][Branch2][#Branch1][#C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][P][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][P][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Branch1][#Branch2][O][C][=Ring2][Branch1][S][NH1][Ring2][=Branch1][Branch1]

InChI: InChI=1S/C30H38N15O22P3/c31-28-37-19-10(22(50)40-28)34-4-43(19)25-14(47)13(46)7(63-25)1-61-69(56,57)67-18-9(65-27(16(18)49)45-6-36-12-21(45)39-30(33)42-24(12)52)3-62-70(58,59)66-17-8(2-60-68(53,54)55)64-26(15(17)48)44-5-35-11-20(44)38-29(32)41-23(11)51/h4-9,13-18,25-27,46-49H,1-3H2,(H,56,57)(H,58,59)(H2,53,54,55)(H3,31,37,40,50)(H3,32,38,41,51)(H3,33,39,42,52)/t7-,8-,9-,13-,14-,15-,16-,17-,18-,25-,26-,27-/m1/s1

Molecular Properties:
- Polar Surface Area: 543.0 Ų
- LogP: -11.1