Name: (2R,3R,4S,5R)-2-[6-amino-2-(2-phenylpropan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: CC(C)(C1=CC=CC=C1)NC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N

Molecular Processing

Molecular formula

C19H24N6O4

Molecular weight

400.44

Exact mass

400.1859

XLogP

0.37

TPSA

151.57

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.421

Molar refractivity

105.84

Supplementary Information

InChIKey: SASWNLAIMHWYRS-LSCFUAHRSA-N

Synonyme

SCHEMBL8749901SASWNLAIMHWYRS-LSCFUAHRSA-N(R)-2-[(Phenylisopropyl)Amino]Adenosine