(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
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![(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c631ef22c39845168c61f744ba2b65a1.png "(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid")
(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
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CAS No:
137330-49-5
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Formula:
C10H12FO10P
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Chemical Name:
(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
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Synonyms:
1-Cyclohexene-1-carboxylic acid,5-[(1-carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-,(3R,4S,5S,6S)-;1-Cyclohexene-1-carboxylic acid,5-[(1-carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-,[3R-(3α,4α,5β,6α)]-;(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
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CAS No:
(3R,4S,5S,6S)-5-[(1-Carboxyethenyl)oxy]-6-fluoro-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid Basic Attributes
342.17 g/mol
342.17
DTXSID60349341
Computed Properties
Molecular Weight:342.17
XLogP3:-1.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:342.01521174
Monoisotopic Mass:342.01521174
Topological Polar Surface Area:171
Heavy Atom Count:22
Complexity:566
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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