Molecule ID: 121225514

IUPAC Name: [(2R,3S,5R)-5-[4-amino-5-hydroxy-6-[3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-5-methyl-2-oxo-1,6-dihydropyrimidin-6-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: CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(O)=NC1c1c(O)c(=N)nc(O)n1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1

SELFIES: [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][C][Ring2][Ring1][Ring1][C][=C][Branch1][C][O][C][=Branch1][C][=N][N][=C][Branch1][C][O][N][Ring1][=Branch2][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/C19H29N5O15P2/c1-7-4-23(12-2-8(25)10(38-12)5-36-40(30,31)32)18(28)21-14(7)15-16(27)17(20)22-19(29)24(15)13-3-9(26)11(39-13)6-37-41(33,34)35/h4,8-14,25-27H,2-3,5-6H2,1H3,(H,21,28)(H2,20,22,29)(H2,30,31,32)(H2,33,34,35)/t8-,9-,10+,11+,12+,13+,14?/m0/s1

Molecular Properties:
- Polar Surface Area: 304.0 Ų
- LogP: -6.4