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

Systemtic Name: 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3S,4S,5R)-3,4-dihydroxy-5-[2-oxo-4-(1-oxohexadecylamino)-1-pyrimidinyl]-2-oxolanyl]methyl 2,3-dioctadecoxypropyl hydrogen phosphate IUPAC Name: 2,3-dioctadecoxypropyl [(2R,3S,4S,5R)-5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3S,4S,5R)-3,4-dihydroxy-5-(2-keto-4-palmitamido-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2,3-distearyloxypropyl hydrogen phosphate Formula: C64H122N3O11P MolecularWeight: 1140.640741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C64H122N3O11P/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-52-74-54-57(75-53-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2)55-76-79(72,73)77-56-58-61(69)62(70)63(78-58)67-51-50-59(66-64(67)71)65-60(68)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3/h50-51,57-58,61-63,69-70H,4-49,52-56H2,1-3H3,(H,72,73)(H,65,66,68,71)/t57?,58-,61-,62+,63-/m1/s1