Gemcitabine Elaidate
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Molecular Identity
Gemcitabine Elaidate
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
PubChem CID: 9828310
Gemcitabine elaidate is a pyrimidine 2'-deoxyribonucleoside.
2D Structure
Properties
C27H43F2N3O5
Molecular Formula
527.60
Molecular Weight
g/mol
527.3171
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
803
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)OIsomeric SMILES
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)OSynonyms(20)
Gemcitabine elaidate210829-30-4CP-4126CO-101CO-1.01Elaidate de gemcitabineElaidato de gemcitabina231C73W7LGDTXSID001753082'-Deoxy-2',2'-difluorocytidine 5'-(9E)-octadec-9-enoategemcitabini elaidasRefChem:922149DTXCID5097799Gemcitabine 5'-Elaidic Acid Ester5'-O-(TRANS-9''-OCTADECENOYL)-1-BETA-D-2'DEOXY-2',2'-DIFLUOROCYTIDINE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gemcitabine Elaidate
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