(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid
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![(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d865051cb87146339106effd6188de72.png "(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid")
(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid
structure -
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CAS No:
87913-21-1
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Formula:
C11H17N2O11PS
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Chemical Name:
(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid
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Synonyms:
5H-Cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid,2-(acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-,(2R,4aS,5R,6S,7R,7aR)-(+)-;(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid;Tagetitoxin;Tagetin;(+)-Tagetitoxin
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CAS No:
Description
Tagetitoxin (TGT) is a bacterial phytotoxin produced by Pseudomonas syringae pv. tagetis.
(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid Basic Attributes
416.30 g/mol
416.30
Computed Properties
Molecular Weight:416.30
XLogP3:-6.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:416.02906753
Monoisotopic Mass:416.02906753
Topological Polar Surface Area:254
Heavy Atom Count:26
Complexity:685
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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