Molecule ID: 121225513

IUPAC Name: [(2R,3S,5R)-5-[6-[5-amino-3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxo-1,3-diazinan-4-yl]-2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-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: CC1(N)C(O)=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C1C1C=C2N1C(=O)N2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1

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

InChI: InChI=1S/C19H29N5O15P2/c1-19(20)15(24(17(28)21-16(19)27)14-4-9(26)11(39-14)6-37-41(33,34)35)7-2-12-22(7)18(29)23(12)13-3-8(25)10(38-13)5-36-40(30,31)32/h2,7-11,13-15,25-26H,3-6,20H2,1H3,(H,21,27,28)(H2,30,31,32)(H2,33,34,35)/t7?,8-,9-,10+,11+,13+,14+,15?,19?/m0/s1

Molecular Properties:
- Polar Surface Area: 291.0 Ų
- LogP: -8.8