(2-chlorophenyl) 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: (2-chlorophenyl) 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: (2-chlorophenyl) 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: phosphoric acid (2-chlorophenyl) [(2R,3S,4S,5R)-3,4-dihydroxy-5-[2-oxo-4-(1-oxohexadecylamino)-1-pyrimidinyl]-2-oxolanyl]methyl 2,3-dioctadecoxypropyl ester IUPAC Name: (2-chlorophenyl) 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: phosphoric acid (2-chlorophenyl) [(2R,3S,4S,5R)-3,4-dihydroxy-5-(2-keto-4-palmitamido-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2,3-distearyloxypropyl ester Formula: C70H125ClN3O11P MolecularWeight: 1251.181761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)NC(=O)CCCCCCCCCCCCCCC)O)O)OC3=CC=CC=C3Cl)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)NC(=O)CCCCCCCCCCCCCCC)O)O)OC3=CC=CC=C3Cl)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C70H125ClN3O11P/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-49-56-80-58-61(81-57-50-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2)59-82-86(79,85-63-52-48-47-51-62(63)71)83-60-64-67(76)68(77)69(84-64)74-55-54-65(73-70(74)78)72-66(75)53-46-43-40-37-34-31-24-21-18-15-12-9-6-3/h47-48,51-52,54-55,61,64,67-69,76-77H,4-46,49-50,53,56-60H2,1-3H3,(H,72,73,75,78)/t61?,64-,67-,68+,69-,86?/m1/s1