(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylpropan-2-yloxy)oxane-2-carboxylic acid
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(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylpropan-2-yloxy)oxane-2-carboxylic acid
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CAS No:
106760-29-6
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Formula:
C15H20O7
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylpropan-2-yloxy)oxane-2-carboxylic acid
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Synonyms:
2-P-2-P-G;2-phenyl-2-propyl glucuronide;2-phenylpropan-2-ol glucuronide;106760-29-6;2-Phenyl-2-propyl glucuronide;2-Phenylpropan-2-ol glucuronide;DTXSID30910108;2-P-2-P-G;2-Phenylpropan-2-yl hexopyranosiduronic acid;alpha,alpha-Dimethylbenzyl beta-D-glucopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylpropan-2-yloxy)oxane-2-carboxylic acid Basic Attributes
312.31 g/mol
312.12090297 g/mol
Computed Properties
Molecular Weight:312.31
XLogP3:0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:312.12090297
Monoisotopic Mass:312.12090297
Topological Polar Surface Area:116
Heavy Atom Count:22
Complexity:391
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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