Molecule ID: 118987293

IUPAC Name: [(2R,3S,5R)-5-[6-[(2-amino-2-oxoethyl)amino]purin-9-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a nucleoside monophosphate analogue that is dAMP in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group. It has a role as a Mycoplasma genitalium metabolite. It is a nucleoside monophosphate analogue, a monocarboxylic acid amide, a glycine derivative and an amino acid amide. It derives from a 2'-deoxyadenosine 5'-monophosphate.

SMILES: N=C(O)CNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1

SELFIES: [N][=C][Branch1][C][O][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][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/C12H17N6O7P/c13-8(20)2-14-11-10-12(16-4-15-11)18(5-17-10)9-1-6(19)7(25-9)3-24-26(21,22)23/h4-7,9,19H,1-3H2,(H2,13,20)(H,14,15,16)(H2,21,22,23)/t6-,7+,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 195.0 Ų
- LogP: -2.9