Dhurrin
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Dhurrin
structure -
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CAS No:
499-20-7
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Formula:
C14H17NO7
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Chemical Name:
Dhurrin
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Synonyms:
Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-4-hydroxy-,(αS)-;Dhurrin;Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-4-hydroxy-,(S)-;Glucoside,α-cyano-p-hydroxybenzyl;(αS)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile;(S)-α-Cyano-p-hydroxybenzyl glucoside;96788-82-8;802274-24-4
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CAS No:
Description
(S)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside, a nitrile, a cyanogenic glycoside and a monosaccharide derivative. It derives from a (S)-prunasin.
Safety Information
NONH for all modes of transport
3
22
22-45
Xn
P264, P270, P301+P312, P330, P501
H302
Computed Properties
Molecular Weight:311.29
XLogP3:-0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:311.10050188
Monoisotopic Mass:311.10050188
Topological Polar Surface Area:143
Heavy Atom Count:22
Complexity:403
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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