3-Nitropropyl β-D-glucopyranoside
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3-Nitropropyl β-D-glucopyranoside
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CAS No:
24502-76-9
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Formula:
C9H17NO8
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Chemical Name:
3-Nitropropyl β-D-glucopyranoside
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Synonyms:
β-D-Glucopyranoside,3-nitropropyl;Glucopyranoside,3-nitropropyl,β-D-;3-Nitropropyl β-D-glucopyranoside;Miserotoxin;3-Nitro-1-propanol β-glucoside;25182-83-6
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CAS No:
Description
Miserotoxin is a beta-D-glucoside having 3-nitropropyl as the anomeric alkyl group. It has a role as a phytotoxin. It is a C-nitro compound and a beta-D-glucoside. It derives from a beta-D-glucose.
Computed Properties
Molecular Weight:267.23
XLogP3:-2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:267.09541650
Monoisotopic Mass:267.09541650
Topological Polar Surface Area:145
Heavy Atom Count:18
Complexity:270
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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