Molecule ID: 439866

IUPAC Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydroimidazo[4,5-d][1,3]diazepin-8-one

Description: The molecule is a coformycin that is dehydrocoformycin with the hydroxy group at position 2 replaced with a hydrogen. It derives from a dehydrocoformycin.

SMILES: O=C1CN=CNc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

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

InChI: InChI=1S/C11H14N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-6,8-9,16-17H,1-3H2,(H,12,13)/t6-,8+,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.6