Cas no 98619-23-9 (Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6-dihydroxy-7-methylene-,methyl ester, (1S,4aR,6S,7aR)-)

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6-dihydroxy-7-methylene-,methyl ester, (1S,4aR,6S,7aR)- structure
98619-23-9 structure
Product Name:Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6-dihydroxy-7-methylene-,methyl ester, (1S,4aR,6S,7aR)-
CAS No:98619-23-9
MF:C17H24O11
MW:404.365866661072
CID:812799
Update Time:2024-11-26

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6-dihydroxy-7-methylene-,methyl ester, (1S,4aR,6S,7aR)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6-dihydroxy-7-methylene-,methyl ester, (1S,4aR,6S,7aR)-
    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6-dihydroxy-7-methylene-,methyl est
    • Inchi: 1S/C17H24O11/c1-6-8(19)3-17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)9(4-18)27-16/h5,8-13,15-16,18-22,24H,1,3-4H2,2H3/t8-,9+,10-,11+,12-,13+,15-,16-,17-/m0/s1
    • InChI Key: CGFLQMYKWPDROM-MJLMDGDHSA-N
    • SMILES: [C@@H]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(OC)=O)[C@@]2(O)C[C@H](O)C(=C)[C@@]12[H]

Computed Properties

  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 28
  • XLogP3: -2.655
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