Lumicitabine
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Identity
Lumicitabine
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
PubChem CID: 89658382
2D Structure
Properties
C18H25ClFN3O6
Molecular Formula
433.90
Molecular Weight
g/mol
433.1416
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
728
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)F)OC(=O)C(C)C)CClIsomeric SMILES
SMILES: CC(C)C(=O)OC[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)F)OC(=O)C(C)C)CClSynonyms(20)
Lumicitabine1445385-02-3ALS-8176ALS-008176BNW5PQ52G1lumicitabina4'-Chloromethyl-2'-deoxy-3',5'-di-o-isobutyryl-2'-fluorocytidineCytidine, 4'-C-(chloromethyl)-2'-deoxy-2'-fluoro-, 3',5'-bis(2-methylpropanoate)[(2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoateDTXSID801028057lumicitabinum((2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-((2-methylpropanoyl)oxy)oxolan-2-yl)methyl 2-methylpropanoateRefChem:154274DTXCID501513619813-935-1
Data from PubChem (NCBI)
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Drug Network
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