2-[(1S,3R,4S)-3-(6-aminopurin-9-yl)-4-oxidanyl-cyclopentyl]ethylphosphonic acid

Systemtic Name: 2-[(1S,3R,4S)-3-(6-aminopurin-9-yl)-4-oxidanyl-cyclopentyl]ethylphosphonic acid Openeye Name: 2-[(1S,3R,4S)-3-(6-aminopurin-9-yl)-4-hydroxy-cyclopentyl]ethylphosphonic acid CAS Name: 2-[(1S,3R,4S)-3-(6-aminopurin-9-yl)-4-hydroxycyclopentyl]ethylphosphonic acid IUPAC Name: 2-[(1S,3R,4S)-3-(6-aminopurin-9-yl)-4-hydroxycyclopentyl]ethylphosphonic acid Traditional Name: 2-[(1S,3R,4S)-3-adenin-9-yl-4-hydroxy-cyclopentyl]ethylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1N2C=NC3=C2N=CN=C3N)O)CCP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18N5O4P/c13-11-10-12(15-5-14-11)17(6-16-10)8-3-7(4-9(8)18)1-2-22(19,20)21/h5-9,18H,1-4H2,(H2,13,14,15)(H2,19,20,21)/t7-,8+,9-/m0/s1