(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
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![(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/10d269708bbb44b586ec2c2b5f262549.png "(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid")
(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
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CAS No:
140447-97-8
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Formula:
C12H14N2O8
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Chemical Name:
(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
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Synonyms:
Nikkomycin S(X);
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CAS No:
(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid Basic Attributes
314.24800
314.07501541
DTXSID50161397
Computed Properties
Molecular Weight:314.25
XLogP3:-2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:314.07501541
Monoisotopic Mass:314.07501541
Topological Polar Surface Area:146
Heavy Atom Count:22
Complexity:549
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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