Molecule ID: 121225512

IUPAC Name: [(2R,3S,5R)-5-[5,6-diamino-4-[3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl]-2-oxo-4,5-dihydropyrimidin-3-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, an azabicycloalkane and a pyrimidone.

SMILES: N=C1N=C(O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(C2C=C3N2C(=O)N3[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)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][Ring2][C][C][=C][N][Ring1][Ring2][C][=Branch1][C][=O][N][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][Ring2][Ring2][=Branch1][N]

InChI: InChI=1S/C18H28N6O14P2/c19-14-15(24(17(27)21-16(14)20)13-3-8(26)10(38-13)5-36-40(32,33)34)6-1-11-22(6)18(28)23(11)12-2-7(25)9(37-12)4-35-39(29,30)31/h1,6-10,12-15,25-26H,2-5,19H2,(H2,20,21,27)(H2,29,30,31)(H2,32,33,34)/t6?,7-,8-,9+,10+,12+,13+,14?,15?/m0/s1

Molecular Properties:
- Polar Surface Area: 301.0 Ų
- LogP: -9.3