Molecule ID: 136227918

IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane;platinum

Description: The molecule is a cisplatin-modified (di)nucleotide in which cisplatin has formed an adduct with one molecule of dGMP and one molecule of ammonia.

SMILES: N.N.N.N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2[nH]1.[Pt]

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

InChI: InChI=1S/C10H14N5O7P.3H3N.Pt/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);3*1H3;/t4-,5+,6+;;;;/m0..../s1

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: nan