(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid
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(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid
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CAS No:
84718-96-7
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Formula:
C15H20O7
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid
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Synonyms:
2-phenyl-1-propyl glucuronide;2-phenylpropan-1-ol glucuronide;84718-96-7;2-Phenylpropyl beta-D-glucopyranosiduronic acid;2-Phenyl-1-propyl glucuronide;2-Phenylpropan-1-ol glucuronide;DTXSID901005028;2-Phenylpropyl hexopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 2-phenylpropyl
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid Basic Attributes
312.31 g/mol
312.12090297 g/mol
Computed Properties
Molecular Weight:312.31
XLogP3:0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:312.12090297
Monoisotopic Mass:312.12090297
Topological Polar Surface Area:116
Heavy Atom Count:22
Complexity:369
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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