3-[[2,6-bis(azanyl)purin-9-yl]methoxy]propyl-[3-hexadecoxypropoxy(oxidanyl)phosphoryl]oxy-phosphinic acid

Systemtic Name: 3-[[2,6-bis(azanyl)purin-9-yl]methoxy]propyl-[3-hexadecoxypropoxy(oxidanyl)phosphoryl]oxy-phosphinic acid Openeye Name: 3-[(2,6-diaminopurin-9-yl)methoxy]propyl-[3-hexadecoxypropoxy(hydroxy)phosphoryl]oxy-phosphinic acid CAS Name: 3-[(2,6-diamino-9-purinyl)methoxy]propyl-[3-hexadecoxypropoxy(hydroxy)phosphoryl]oxyphosphinic acid IUPAC Name: 3-[(2,6-diaminopurin-9-yl)methoxy]propyl-[3-hexadecoxypropoxy(hydroxy)phosphoryl]oxyphosphinic acid Traditional Name: [3-cetyloxypropoxy(hydroxy)phosphoryl]oxy-[3-[(2,6-diaminopurin-9-yl)methoxy]propyl]phosphinic acid Formula: C28H54N6O8P2 MolecularWeight: 664.711282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OP(=O)(CCCOCN1C=NC2=C1N=C(N=C2N)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OP(=O)(CCCOCN1C=NC2=C1N=C(N=C2N)N)O

InChI

InChI=1S/C28H54N6O8P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-39-19-16-21-41-44(37,38)42-43(35,36)22-17-20-40-24-34-23-31-25-26(29)32-28(30)33-27(25)34/h23H,2-22,24H2,1H3,(H,35,36)(H,37,38)(H4,29,30,32,33)