methyl (1R,3R,4R,4aS,8S,8aR)-1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
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methyl (1R,3R,4R,4aS,8S,8aR)-1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
structure -
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CAS No:
61229-34-3
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Formula:
C12H18O7
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Chemical Name:
methyl (1R,3R,4R,4aS,8S,8aR)-1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
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Synonyms:
xylomollin;Xylomollin;61229-34-3;1H,3H-Pyrano(3,4-c)pyran-4-carboxylic acid, hexahydro-1-hydroxy-3-methoxy-8-methyl-6-oxo-, methyl ester, (1R-(1alpha,3beta,4alpha,4aalpha,8alpha,8aalpha))-;NSC 280415;methyl (1R,3R,4R,4aS,8S,8aR)-1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
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CAS No:
methyl (1R,3R,4R,4aS,8S,8aR)-1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate Basic Attributes
274.27 g/mol
274.10525291 g/mol
Computed Properties
Molecular Weight:274.27
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:274.10525291
Monoisotopic Mass:274.10525291
Topological Polar Surface Area:91.3
Heavy Atom Count:19
Complexity:369
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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