Uproleselan
(2S)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(1R,2R,3S,5R)-3-ethyl-5-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid
Molecular Identity
Uproleselan
(2S)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(1R,2R,3S,5R)-3-ethyl-5-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid
PubChem CID: 71600085
2D Structure
Properties
C60H109N3O27
Molecular Formula
1304.50
Molecular Weight
g/mol
1303.7248
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
383
TPSA
May have limited oral absorption
9
H-Bond Donors
27
H-Bond Acceptors
1870
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Uproleselan1983970-12-2GMI-1271GMI-1271 FREE ACIDPE952ANF83uproleselanumRefChem:933820GMI-1687(2S)-2-(((2R,3R,4R,5R,6R)-3-acetamido-2-(((1R,2R,3S,5R)-5-((2-(4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxaoctatriacontanamido)ethyl)carbamoyl)-3-ethyl-2-(alpha-L-galactopyranosyloxy)cyclohexyl)oxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy)-3-cycSodium (2S)-2-(((2R,3R,4R,5R,6R)-3-acetamido-2-(((1R,2R,3S,5R)-5-((2-(4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxaoctatriacontanamido)ethyl)carbamoyl)-3-ethyl-2-(alpha-L-galactopyranosyloxy)cyclohexyl)oxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy(2S)-2-((2R,3R,4R,5R,6R)-3-acetamido-2-((1R,2R,3S,5R)-3-ethyl-5-(2-(3-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)propanoylamino)ethylcarbamoyl)-2-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclohexyl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy-3-cyclohexylpropanoic acidUproleselan [USAN](S)-2-(((2R,3R,4R,5R,6R)-3-Acetamido-2-(((1R,2R,3S,5R)-3-ethyl-5-((38-oxo-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxa-39-azahentetracontan-41-yl)carbamoyl)-2-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-5-hydroxyUPROLESELAN [INN]Uproleselan (USAN/INN)
Data from PubChem (NCBI)
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