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Home > Encyclopedia > 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

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

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

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
  • CAS No:

    61229-34-3

  • Formula:

    C12H18O7

  • 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

  • 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

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

Characteristics

91.3 Ų

Drug Information

xylomollin

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

Guide of 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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