(E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
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(E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
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CAS No:
157183-67-0
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Formula:
C21H39NO5
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Chemical Name:
(E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
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Synonyms:
Mycestericin D; 6-Eicosenoic acid,2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-,(2S,3S,6E); 6-Eicosenoic acid,2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-,(S-(R*,R*-(E))); (2S,3S)-(E)-2-amino-3-hydroxy-2-hydroxymethyl-14-oxoicos-6-enoic acid; 6-Eicosenoic acid,2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo;
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CAS No:
(E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid Basic Attributes
385.53800
385.28282334
Computed Properties
Molecular Weight:385.5
XLogP3:0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:385.28282334
Monoisotopic Mass:385.28282334
Topological Polar Surface Area:121
Heavy Atom Count:27
Complexity:438
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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