[(E)-3-[(6-aminopurin-9-yl)oxymethyl]-4-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-[(6-aminopurin-9-yl)oxymethyl]-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-[(6-aminopurin-9-yl)oxymethyl]-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-[(6-aminopurin-9-yl)oxymethyl]-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-[(6-aminopurin-9-yl)oxymethyl]-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-(adenin-9-yloxymethyl)-4-hydroxy-but-1-enyl]phosphonic acid Formula: C10H14N5O5P MolecularWeight: 315.222421

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCC(CO)C=CP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCC(CO)/C=C/P(=O)(O)O

InChI

InChI=1S/C10H14N5O5P/c11-9-8-10(13-5-12-9)15(6-14-8)20-4-7(3-16)1-2-21(17,18)19/h1-2,5-7,16H,3-4H2,(H2,11,12,13)(H2,17,18,19)/b2-1+