[(2S,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid

Systemtic Name: [(2S,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid Openeye Name: [(2S,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid CAS Name: [(2S,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-1-pyrrolidinyl]methylphosphonic acid IUPAC Name: [(2S,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]methylphosphonic acid Traditional Name: [(2S,4S)-4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-pyrrolidino]methylphosphonic acid Formula: C11H17N6O5P MolecularWeight: 344.263641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CO)CP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@@H](CN([C@@H]1CO)CP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C11H17N6O5P/c12-11-14-9-8(10(19)15-11)13-4-17(9)6-1-7(3-18)16(2-6)5-23(20,21)22/h4,6-7,18H,1-3,5H2,(H2,20,21,22)(H3,12,14,15,19)/t6-,7-/m0/s1