2-[(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]ethylphosphonic acid

Systemtic Name: 2-[(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]ethylphosphonic acid Openeye Name: 2-[(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]ethylphosphonic acid CAS Name: 2-[(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]ethylphosphonic acid IUPAC Name: 2-[(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]ethylphosphonic acid Traditional Name: 2-[(1S,2R)-2-(adenin-9-ylmethyl)-2-methylol-cyclopropyl]ethylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(CN2C=NC3=C2N=CN=C3N)CO)CCP(=O)(O)O

Isomeric SMILES

C1[C@H]([C@]1(CN2C=NC3=C2N=CN=C3N)CO)CCP(=O)(O)O

InChI

InChI=1S/C12H18N5O4P/c13-10-9-11(15-6-14-10)17(7-16-9)4-12(5-18)3-8(12)1-2-22(19,20)21/h6-8,18H,1-5H2,(H2,13,14,15)(H2,19,20,21)/t8-,12-/m1/s1