Cas no 86363-69-1 ((1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid)

(1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid structure
86363-69-1 structure
Product Name:(1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
CAS No:86363-69-1
MF:C16H24O9
MW:360.356366157532
CID:1848843
PubChem ID:158940
Update Time:2025-04-21

(1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
    • 86363-69-1
    • Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1R,4aR,7S,7aS)-
    • DTXSID101108303
    • 5-Epideoxyloganic acid
    • (1R,4aR,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-carboxylic acid
    • (1R,4aR,7S,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
    • (1R,4aR,7S,7aS)-1-(I(2)-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-carboxylic acid
    • Inchi： 1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13+,15+,16-/m0/s1
    • InChI Key： DSXFHNSGLYXPNG-MDIWZKTHSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]1[C@H]2[C@@H](C)CC[C@H]2C(C(=O)O)=CO1

Computed Properties

  • Exact Mass: 360.142032
  • Monoisotopic Mass: 360.142032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 536
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 146
  • XLogP3: -0.4

Experimental Properties

  • Density: 1.52
  • Boiling Point: 597.2°C at 760 mmHg
  • Flash Point: 217.9°C
  • Refractive Index: 1.612

(1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Related Literature

Related Categories

86363-69-1 ((1R,4aR,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid) Related Products

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