Molecule ID: 447416

IUPAC Name: [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Description: The molecule is an oligonucleotide composed of three deoxythymidylic acid residues connected by 3'->5' phosphodiester linkages. It contains a thymidine 5'-monophosphate residue.

SMILES: Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3O)[C@@H](CO)O2)c(=O)nc1O

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

InChI: InChI=1S/C30H40N6O19P2/c1-13-7-34(28(42)31-25(13)39)22-4-16(38)20(52-22)11-49-56(45,46)55-18-6-24(36-9-15(3)27(41)33-30(36)44)53-21(18)12-50-57(47,48)54-17-5-23(51-19(17)10-37)35-8-14(2)26(40)32-29(35)43/h7-9,16-24,37-38H,4-6,10-12H2,1-3H3,(H,45,46)(H,47,48)(H,31,39,42)(H,32,40,43)(H,33,41,44)/t16-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1

Molecular Properties:
- Polar Surface Area: 328.0 Ų
- LogP: -4.7