[2,5-bis(oxidanyl)-3,4-diphosphonooxy-6-(4-purin-9-ylbutoxy)cyclohexyl] dihydrogen phosphate

Systemtic Name: [2,5-bis(oxidanyl)-3,4-diphosphonooxy-6-(4-purin-9-ylbutoxy)cyclohexyl] dihydrogen phosphate Openeye Name: [2,5-dihydroxy-3,4-diphosphonooxy-6-(4-purin-9-ylbutoxy)cyclohexyl] dihydrogen phosphate CAS Name: [2,5-dihydroxy-3,4-diphosphonooxy-6-[4-(9-purinyl)butoxy]cyclohexyl] dihydrogen phosphate IUPAC Name: [2,5-dihydroxy-3,4-diphosphonooxy-6-(4-purin-9-ylbutoxy)cyclohexyl] dihydrogen phosphate Traditional Name: [2,5-dihydroxy-3,4-diphosphonooxy-6-(4-purin-9-ylbutoxy)cyclohexyl] dihydrogen phosphate Formula: C15H25N4O15P3 MolecularWeight: 594.298083

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N(C=N2)CCCCOC3C(C(C(C(C3OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

C1=C2C(=NC=N1)N(C=N2)CCCCOC3C(C(C(C(C3OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C15H25N4O15P3/c20-9-11(31-4-2-1-3-19-7-18-8-5-16-6-17-15(8)19)12(32-35(22,23)24)10(21)14(34-37(28,29)30)13(9)33-36(25,26)27/h5-7,9-14,20-21H,1-4H2,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)