Molecule ID: 118796933

IUPAC Name: [(2R,3S,5R)-5-[2,4-dioxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase It has a role as a eukaryotic metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate and a beta-D-glucoside. It derives from a 5-hydroxymethyluracil.

SMILES: O=c1nc(O)c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1

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

InChI: InChI=1S/C16H25N2O14P/c19-3-8-11(21)12(22)13(23)15(32-8)29-4-6-2-18(16(25)17-14(6)24)10-1-7(20)9(31-10)5-30-33(26,27)28/h2,7-13,15,19-23H,1,3-5H2,(H,17,24,25)(H2,26,27,28)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 245.0 Ų
- LogP: -5.7