[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
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![[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/499dd3a3b5d24078afe7edd4e4b0c076.png "[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate")
[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
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CAS No:
88090-57-7
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Formula:
C50H96NO13P
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Chemical Name:
[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate
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Synonyms:
lipid Y;Lipid Y;88090-57-7;DTXSID601007932;[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate;2-Deoxy-2-{[3-(hexadecanoyloxy)-1-hydroxytetradecylidene]amino}-3-O-(3-hydroxytetradecanoyl)-1-O-phosphonohexopyranose;alpha-D-Glucopyranose, 2-deoxy-2-((1-oxo-3-((1-oxohexadecyl)oxy)tetradecyl)amino)-, 1-(dihydrogen phosphate) 3-(3-hydroxytetradecanoate), (2(R),3(R))-
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CAS No:
[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-hydroxytetradecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate Basic Attributes
950.3 g/mol
949.66192911 g/mol
Computed Properties
Molecular Weight:950.3
XLogP3:14.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:46
Exact Mass:949.66192911
Monoisotopic Mass:949.66192911
Topological Polar Surface Area:218
Heavy Atom Count:65
Complexity:1220
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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