Molecule ID: 71627179

IUPAC Name: hydron;(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol

Description: The molecule is an organic cation resulting from the protonation of one of the nitrogens of ancitabine. It is a conjugate acid of an ancitabine.

SMILES: [NH2+]=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12

SELFIES: [NH2+1][=C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][Ring1][N]

InChI: InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/p+1/t4-,6-,7+,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 98.4 Ų
- LogP: nan