[1-[3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-2-hexadecanoyloxy-propoxy]-1-oxidanylidene-hexadecan-5-yl]-phosphonooxy-phosphinic acid

Systemtic Name: [1-[3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-2-hexadecanoyloxy-propoxy]-1-oxidanylidene-hexadecan-5-yl]-phosphonooxy-phosphinic acid Openeye Name: 1-[4-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-2-hexadecanoyloxy-propoxy]-4-oxo-butyl]dodecyl-phosphonooxy-phosphinic acid CAS Name: [1-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy]-2-(1-oxohexadecoxy)propoxy]-1-oxohexadecan-5-yl]-phosphonooxyphosphinic acid IUPAC Name: [1-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hexadecanoyloxypropoxy]-1-oxohexadecan-5-yl]-phosphonooxyphosphinic acid Traditional Name: 1-[4-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-2-hexadecanoyloxy-propoxy]-4-keto-butyl]dodecyl-phosphonooxy-phosphinic acid Formula: C44H81N3O15P2 MolecularWeight: 954.072562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)COC(=O)CCCC(CCCCCCCCCCC)P(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)COC(=O)CCCC(CCCCCCCCCCC)P(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-28-40(49)60-35(32-58-34-37-41(50)42(51)43(61-37)47-31-30-38(45)46-44(47)52)33-59-39(48)29-25-27-36(63(53,54)62-64(55,56)57)26-23-21-19-17-12-10-8-6-4-2/h30-31,35-37,41-43,50-51H,3-29,32-34H2,1-2H3,(H,53,54)(H2,45,46,52)(H2,55,56,57)/t35?,36?,37-,41-,42-,43-/m1/s1