3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
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3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
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CAS No:
76532-04-2
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Formula:
C21H24O12
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Chemical Name:
3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
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Synonyms:
76532-04-2;DTXSID50997890;alpha-L-Mannopyranoside, 3,4-dihydro-4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 6-deoxy-;4,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxyhexopyranoside
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CAS No:
3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol Basic Attributes
468.4 g/mol
468.12677620 g/mol
Computed Properties
Molecular Weight:468.4
XLogP3:-1.1
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:3
Exact Mass:468.12677620
Monoisotopic Mass:468.12677620
Topological Polar Surface Area:210
Heavy Atom Count:33
Complexity:655
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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