[(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Systemtic Name: [(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: [(1S)-1-[(6-aminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: [(1S)-1-(adenin-9-ylmethyl)-2-hydroxy-ethoxy]methyl-(3-cetyloxypropoxy)phosphinic acid Formula: C28H52N5O6P MolecularWeight: 585.716141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=NC2=C1N=CN=C2N)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=NC2=C1N=CN=C2N)CO)O

InChI

InChI=1S/C28H52N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-37-18-16-19-39-40(35,36)24-38-25(21-34)20-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25,34H,2-21,24H2,1H3,(H,35,36)(H2,29,30,31)/t25-/m0/s1