(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-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/d5b3ec0ee9ac4308901cae4f0f1d40b2.png "(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-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:
140447-96-7
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Formula:
C12H14N2O9
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Chemical Name:
(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-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(Z);nikkomycin So-Z;nikkomycin SoZ;Nikkomycin So(Z);140447-96-7;Nikkomycin soz;Nikkomycin So-Z;DTXSID80930836;(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-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)-4-hydroxypyrimidin-2(1H)-one
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CAS No:
(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-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:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
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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