Phenolphthalein β-D-glucuronide
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Phenolphthalein β-D-glucuronide
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CAS No:
15265-26-6
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Formula:
C26H22O10
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Chemical Name:
Phenolphthalein β-D-glucuronide
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Synonyms:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylic acid;
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CAS No:
Computed Properties
Molecular Weight:494.4
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:494.12129689
Monoisotopic Mass:494.12129689
Topological Polar Surface Area:163
Heavy Atom Count:36
Complexity:805
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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