(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
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![(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/da16d6a30b4c427d8cdf8bb6c5d90f3f.png "(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid")
(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
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CAS No:
140447-98-9
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Formula:
C12H14N2O9
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Chemical Name:
(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
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Synonyms:
nikkomycin So(X);nikkomycin So-X;nikkomycin SoX;Nikkomycin So(X);140447-98-9;Nikkomycin sox;Nikkomycin So-X;DTXSID40930837;(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid;1-(3,7-Anhydrooctofuranuronosyl)-2-hydroxy-1H-imidazole-4-carbaldehyde;D-erythro-beta-D-allo-Octofuranuronic acid, 3,7-anhydro-1-deoxy-1-(2,3-dihydro-4-formyl-2-oxo-1H-imidazol-1-yl)-
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CAS No:
(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid Basic Attributes
330.25 g/mol
330.06993003 g/mol
Computed Properties
Molecular Weight:330.25
XLogP3:-3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:330.06993003
Monoisotopic Mass:330.06993003
Topological Polar Surface Area:166
Heavy Atom Count:23
Complexity:579
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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