Molecule ID: 72715784

IUPAC Name: 2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]acetamide

Description: The molecule is a glycine derivative that is glycinamide in which one of the amino hydrogens is replaced by a 9-beta-D-ribofuranosylpurin-6-yl group. It is a nucleoside analogue, a glycine derivative and an amino acid amide. It derives from an adenosine.

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

SELFIES: [N][=C][Branch1][C][O][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]

InChI: InChI=1S/C12H16N6O5/c13-6(20)1-14-10-7-11(16-3-15-10)18(4-17-7)12-9(22)8(21)5(2-19)23-12/h3-5,8-9,12,19,21-22H,1-2H2,(H2,13,20)(H,14,15,16)/t5-,8-,9-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: -1.4