Molecule ID: 136273283

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

Description: The molecule is a single-stranded DNA polynucleotide consisting of a repeating sequence of two deoxyguanosine residues and one deoxycytosine residue, with all residues connected by 3'->5' phosphodiester linkages.

SMILES: N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(O)nc(=N)[nH]c65)C[C@@H]4OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)C[C@@H]4O)[C@@H](COP(=O)(O)O)O3)c2[nH]1

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

InChI: InChI=1S/C30H38N15O18P3/c31-23-20-24(35-7-34-23)43(8-36-20)17-1-11(46)14(59-17)4-57-65(52,53)63-13-3-19(45-10-38-22-26(45)40-30(33)42-28(22)48)61-16(13)6-58-66(54,55)62-12-2-18(60-15(12)5-56-64(49,50)51)44-9-37-21-25(44)39-29(32)41-27(21)47/h7-19,46H,1-6H2,(H,52,53)(H,54,55)(H2,31,34,35)(H2,49,50,51)(H3,32,39,41,47)(H3,33,40,42,48)/t11-,12-,13-,14+,15+,16+,17+,18+,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 466.0 Ų
- LogP: -7.4