[(E)-5-(6-aminopurin-9-yl)-3-oxidanyl-pent-1-enyl]phosphonic acid

Systemtic Name: [(E)-5-(6-aminopurin-9-yl)-3-oxidanyl-pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(6-aminopurin-9-yl)-3-hydroxy-pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(6-aminopurin-9-yl)-3-hydroxypent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(6-aminopurin-9-yl)-3-hydroxypent-1-enyl]phosphonic acid Traditional Name: [(E)-5-adenin-9-yl-3-hydroxy-pent-1-enyl]phosphonic acid Formula: C10H14N5O4P MolecularWeight: 299.223021

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCC(C=CP(=O)(O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCC(/C=C/P(=O)(O)O)O

InChI

InChI=1S/C10H14N5O4P/c11-9-8-10(13-5-12-9)15(6-14-8)3-1-7(16)2-4-20(17,18)19/h2,4-7,16H,1,3H2,(H2,11,12,13)(H2,17,18,19)/b4-2+