Molecule ID: 149784

IUPAC Name: (2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol

Description: The molecule is eHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. It has a role as an EC 3.5.4.4 (adenosine deaminase) inhibitor and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. It is a conjugate base of a (2R,3S)-EHNA(1+). It is an enantiomer of a (2S,3R)-EHNA.

SMILES: CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21

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

InChI: InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 2.6