Molecule ID: 121225511

IUPAC Name: [(2R,3S,5R)-5-[4-[5,6-diamino-3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxo-4,5-dihydropyrimidin-4-yl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is an N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium. It has a role as a Mycoplasma genitalium metabolite. It is a N-glycosyl compound, an aminopyrimidine, a pyrimidone and a ring assembly.

SMILES: N=C1N=C(O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(c2ccn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c(=O)n2)C1N

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

InChI: InChI=1S/C18H28N6O14P2/c19-14-15(24(18(28)22-16(14)20)13-4-9(26)11(38-13)6-36-40(32,33)34)7-1-2-23(17(27)21-7)12-3-8(25)10(37-12)5-35-39(29,30)31/h1-2,8-15,25-26H,3-6,19H2,(H2,20,22,28)(H2,29,30,31)(H2,32,33,34)/t8-,9-,10+,11+,12+,13+,14?,15?/m0/s1

Molecular Properties:
- Polar Surface Area: 310.0 Ų
- LogP: -9.1