[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[3,4-dioctadecoxybutyl(oxidanyl)phosphoryl]methyl]phosphinic acid

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[3,4-dioctadecoxybutyl(oxidanyl)phosphoryl]methyl]phosphinic acid Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[3,4-dioctadecoxybutyl(hydroxy)phosphoryl]methyl]phosphinic acid CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-[[3,4-dioctadecoxybutyl(hydroxy)phosphoryl]methyl]phosphinic acid IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[3,4-dioctadecoxybutyl(hydroxy)phosphoryl]methyl]phosphinic acid Traditional Name: [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[3,4-distearyloxybutyl(hydroxy)phosphoryl]methyl]phosphinic acid Formula: C50H97N3O11P2 MolecularWeight: 978.266202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H97N3O11P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-61-41-44(62-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-40-65(57,58)43-66(59,60)63-42-45-47(54)48(55)49(64-45)53-37-35-46(51)52-50(53)56/h35,37,44-45,47-49,54-55H,3-34,36,38-43H2,1-2H3,(H,57,58)(H,59,60)(H2,51,52,56)