[(2R)-1-[6-(3-hexadecoxypropylamino)-7H-purin-2-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-[6-(3-hexadecoxypropylamino)-7H-purin-2-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[6-(3-hexadecoxypropylamino)-7H-purin-2-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[6-(3-hexadecoxypropylamino)-7H-purin-2-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[6-(3-hexadecoxypropylamino)-7H-purin-2-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[6-(3-cetyloxypropylamino)-7H-purin-2-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C28H52N5O5P MolecularWeight: 569.716741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCNC1=NC(=NC2=C1NC=N2)CC(C)OCP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCNC1=NC(=NC2=C1NC=N2)C[C@@H](C)OCP(=O)(O)O

InChI

InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-20-17-18-29-27-26-28(31-22-30-26)33-25(32-27)21-24(2)38-23-39(34,35)36/h22,24H,3-21,23H2,1-2H3,(H2,34,35,36)(H2,29,30,31,32,33)/t24-/m1/s1