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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(C(C1)O)N2C=NC3=C2N=CN=C3N)P(=O)(O)O

Isomeric SMILES

CC(C1CC(C(C1)O)N2C=NC3=C2N=CN=C3N)P(=O)(O)O

InChI

InChI=1S/C12H18N5O4P/c1-6(22(19,20)21)7-2-8(9(18)3-7)17-5-16-10-11(13)14-4-15-12(10)17/h4-9,18H,2-3H2,1H3,(H2,13,14,15)(H2,19,20,21)