[1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate
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![[1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f6e85d714cba4809bfe2df8d906f5904.png "[1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate")
[1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate
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CAS No:
89756-57-0
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Formula:
C48H92NO12P
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Chemical Name:
[1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate
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Synonyms:
2-deoxy-4-O-phosphono-3-O-tetradecanoyl-2-(3-tetradecanoyloxytetradecanamido)-D-glucose;3-O-tetradecanoyl-2N-3-tetradecanoyloxytetradecanoyl-4-O-phosphonoglucosamine;GLA 27;GLA-27;89756-57-0;Gla 27;DTXSID401008960;2-Deoxy-4-O-phosphono-3-O-tetradecanoyl-2-(3-tetradecanoyloxytetradecanamido)-D-glucose;3-O-Tetradecanoyl-2N-3-tetradecanoyloxytetradecanoyl-4-O-phosphonoglucosamine;2-Deoxy-2-{[1-hydroxy-3-(tetradecanoyloxy)tetradecylidene]amino}-4-O-phosphono-3-O-tetradecanoylhexose;D-Glucose, 2-deoxy-2-((1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)amino)-, 4-(dihydrogen phosphate) 3-tetradecanoate
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CAS No:
[1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate Basic Attributes
906.2 g/mol
905.63571437 g/mol
Drug Information
2-deoxy-4-O-phosphono-3-O-tetradecanoyl-2-(3-tetradecanoyloxytetradecanamido)-D-glucose
Computed Properties
Molecular Weight:906.2
XLogP3:14
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:48
Exact Mass:905.63571437
Monoisotopic Mass:905.63571437
Topological Polar Surface Area:206
Heavy Atom Count:62
Complexity:1140
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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