Epiprogoitrin
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Epiprogoitrin
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CAS No:
19237-18-4
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Formula:
C11H19NO10S2
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Chemical Name:
Epiprogoitrin
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Synonyms:
β-D-Glucopyranose,1-thio-,1-[(3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate];Glucopyranose,1-thio-,1-((S)-3-hydroxy-4-pentenohydroximate) NO-(hydrogen sulfate),β-D-;Epiprogoitrin;β-D-Glucopyranose,1-thio-,1-[3-hydroxy-N-(sulfooxy)-4-pentenimidate],(S)-;epi-Progoitrin;2(S)-Hydroxy-3-butenylglucosinolate
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CAS No:
Description
ChEBI: The stereoisomer of xi-progoitrin that has S at the carbon bearing the allylic hydroxy group.
Epi-progoitrin is the stereoisomer of xi-progoitrin that has S at the carbon bearing the allylic hydroxy group. It has a role as a plant metabolite. It is a conjugate acid of an epi-progoitrin(1-).
Computed Properties
Molecular Weight:389.4
XLogP3:-1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:389.04503815
Monoisotopic Mass:389.04503815
Topological Polar Surface Area:220
Heavy Atom Count:24
Complexity:548
Defined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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