[(2S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid

Systemtic Name: [(2S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid Openeye Name: [(2S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid CAS Name: [(2S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)-1-pyrrolidinyl]methylphosphonic acid IUPAC Name: [(2S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid Traditional Name: [(2S,4S)-4-adenin-9-yl-2-methylol-pyrrolidino]methylphosphonic acid Formula: C11H17N6O4P MolecularWeight: 328.264241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CO)CP(=O)(O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1[C@@H](CN([C@@H]1CO)CP(=O)(O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C11H17N6O4P/c12-10-9-11(14-4-13-10)17(5-15-9)7-1-8(3-18)16(2-7)6-22(19,20)21/h4-5,7-8,18H,1-3,6H2,(H2,12,13,14)(H2,19,20,21)/t7-,8-/m0/s1