Secondary metabolite: Eritadenine Summary Molecular formula: C9H11N5O4
SMILES: O[C@@H]([C@H](C(=O)O)O)Cn1cnc2c1ncnc2N InChI: InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1 InChIKey: LIEMBEWXEZJEEZ-INEUFUBQSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Imidazopyrimidines
Sub class: Purines and purine derivatives
Synonymous chemical names: eritadenine, leutinacin
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 253.22 Log P RDKit -1.79 Topological polar surface area (Å2 ) RDKit 147.38 Number of hydrogen bond acceptors RDKit 8 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 9 Number of heavy atoms RDKit 18 Number of heteroatoms RDKit 9 Number of nitrogen atoms RDKit 5 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.22 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 3 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.33 Shape complexity RDKit 0.33 Number of rotatable bonds SwissADME 4 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 2 Number of aromatic rings RDKit 2 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
TOP 828
