[(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] hexadecanoate Openeye Name: [(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(methylthio)methyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[[(2S,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-[(methylthio)methyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-propyl] ester Formula: C30H52N5O9PS MolecularWeight: 689.800741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CSC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)CSC)O

InChI

InChI=1S/C30H52N5O9PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(37)41-17-22(36)18-42-45(39,40)44-27-23(19-46-2)43-30(26(27)38)35-21-34-25-28(31)32-20-33-29(25)35/h20-23,26-27,30,36,38H,3-19H2,1-2H3,(H,39,40)(H2,31,32,33)/t22-,23-,26-,27-,30-/m1/s1