[(1S,3R)-3-[(6-aminopurin-9-yl)methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid

Systemtic Name: [(1S,3R)-3-[(6-aminopurin-9-yl)methyl]-4-oxidanyl-1-phenyl-butyl]phosphonic acid Openeye Name: [(1S,3R)-3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenyl-butyl]phosphonic acid CAS Name: [(1S,3R)-3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid IUPAC Name: [(1S,3R)-3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid Traditional Name: [(1S,3R)-3-(adenin-9-ylmethyl)-4-hydroxy-1-phenyl-butyl]phosphonic acid Formula: C16H20N5O4P MolecularWeight: 377.334861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CN2C=NC3=C2N=CN=C3N)CO)P(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N5O4P/c17-15-14-16(19-9-18-15)21(10-20-14)7-11(8-22)6-13(26(23,24)25)12-4-2-1-3-5-12/h1-5,9-11,13,22H,6-8H2,(H2,17,18,19)(H2,23,24,25)/t11-,13+/m1/s1