(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
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![(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a8e164a03d354081933b592b71a9eb51.png "(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid")
(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
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CAS No:
52012-51-8
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Formula:
C14H13N3O8
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Chemical Name:
(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
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Synonyms:
2,6-Pyridinedicarboxylic acid,4-[[[(S)-carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-,(2S,4E)-;2,6-Pyridinedicarboxylic acid,4-[[[carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-,[S-[R*,R*-(E,?)]]-;(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid;Muscaaurin I
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CAS No:
(2S,4E)-4-[[[(S)-Carboxy(2,3-dihydro-3-oxo-5-isoxazolyl)methyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid Basic Attributes
351.26800
351.27
DTXSID10415085
Computed Properties
Molecular Weight:351.27
XLogP3:-0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:351.07026438
Monoisotopic Mass:351.07026438
Topological Polar Surface Area:175
Heavy Atom Count:25
Complexity:749
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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