(1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
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(1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
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CAS No:
28413-93-6
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Formula:
C11H16O5
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Chemical Name:
(1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
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Synonyms:
Xanthocidin;Cyclopentanecarboxylic acid, 2,3-dihydroxy-2-isopropyl-3-methyl-5-methylene-4-oxo-, (+)-;28413-93-6;(+)-Xanthocidin;Cyclopentanecarboxylic acid, 2,3-dihydroxy-3-methyl-5-methylene-2-(1-methylethyl)-4-oxo-;DTXSID50182628;(1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
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CAS No:
(1R,2S,3S)-2,3-dihydroxy-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid Basic Attributes
228.24 g/mol
228.09977361 g/mol
DTXSID50182628
Computed Properties
Molecular Weight:228.24
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:228.09977361
Monoisotopic Mass:228.09977361
Topological Polar Surface Area:94.8
Heavy Atom Count:16
Complexity:373
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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