Molecule ID: 27661

IUPAC Name: [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

Description: The molecule is a nitrate ester and a glucitol derivative. It has a role as a nitric oxide donor and a vasodilator agent.

SMILES: O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O

SELFIES: [O][=N+1][Branch1][C][O-1][O][C@@H1][C][O][C@H1][C@@H1][Ring1][Branch1][O][C][C@@H1][Ring1][Branch1][O]

InChI: InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 93.7 Ų
- LogP: -0.4