1,3,6-Tri-O-galloyl-β-D-glucose
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1,3,6-Tri-O-galloyl-β-D-glucose
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CAS No:
18483-17-5
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Formula:
C27H24O18
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Chemical Name:
1,3,6-Tri-O-galloyl-β-D-glucose
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Synonyms:
β-D-Glucopyranose,1,3,6-tris(3,4,5-trihydroxybenzoate);Glucopyranose,1,3,6-trigallate,β-D-;1,3,6-Tri-O-galloyl-β-D-glucose;β-D-Glucopyranose 1,3,6-trigallate;1,3,6-Tri-O-galloyl-β-D-glucopyranose;NSC 69861;1,3,6-Tri-O-galloyl-β-glucospyranose;NP 005114;1,3,6-Tri-O-galloylglucose
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CAS No:
Description
1,3,6-Tri-O-galloyl-beta-D-glucose (1,3,6-Tri-O-galloyl-β-D-glucose) is a phenolic compound in Black Walnut Kernels[1].
Safety Information
NONH for all modes of transport
3
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Computed Properties
Molecular Weight:636.5
XLogP3:0.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:636.09626391
Monoisotopic Mass:636.09626391
Topological Polar Surface Area:311
Heavy Atom Count:45
Complexity:1010
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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