[(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
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[(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
structure -
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CAS No:
73248-91-6
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Formula:
C22H26O11
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Chemical Name:
[(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
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Synonyms:
beta-D-Glucopyranoside, (1S,4aS,5R,7aR)-7-((benzoyloxy)methyl)-1,4a,5,7a-tetrahydro-4a,5-dihydroxycyclopenta(c)pyran-1-yl
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CAS No:
[(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate Basic Attributes
466.4 g/mol
466.14751164 g/mol
Computed Properties
Molecular Weight:466.4
XLogP3:-1.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:466.14751164
Monoisotopic Mass:466.14751164
Topological Polar Surface Area:175
Heavy Atom Count:33
Complexity:774
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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