Cas no 87553-43-3 (methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate)

methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate structure
87553-43-3 structure
Product Name:methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
CAS No:87553-43-3
MF:C11H14O6
MW:242.225264072418
CID:1906214
PubChem ID:159100
Update Time:2025-04-21

methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
    • methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
    • Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,7,7a-tetrahydro-1,7-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1R-(1alpha,4aalpha,7beta,7aalpha))-
    • 87553-43-3
    • DTXSID50236458
    • Inchi: 1S/C11H14O6/c1-16-9(13)7-4-17-10(14)8-6(7)2-3-11(8,15)5-12/h2-4,6,8,10,12,14-15H,5H2,1H3
    • InChI Key: CYFGAUDUKUUIEV-UHFFFAOYSA-N
    • SMILES: COC(C1C2C=CC(C2C(O)OC=1)(CO)O)=O

Computed Properties

  • Exact Mass: 242.07903816Da
  • Monoisotopic Mass: 242.07903816Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 387
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 96.2?2
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