Cas no 29781-29-1 (Theveside)

Theveside structure
Theveside structure
Product Name:Theveside
CAS No:29781-29-1
MF:C16H22O11
MW:390.339286327362
CID:280216
Update Time:2024-02-29

Theveside Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-,(1S,4aR,7aR)-
    • (1S)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,7aα-tetrahydro-4aα-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid
    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-,(1S,4aR,7aR
    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-,[1S-(1a,4aa,7aa)]-
    • Theveside (8CI)
    • Theveside
    • Inchi: 1S/C16H22O11/c17-3-6-1-2-16(24)7(13(22)23)5-25-14(9(6)16)27-15-12(21)11(20)10(19)8(4-18)26-15/h1,5,8-12,14-15,17-21,24H,2-4H2,(H,22,23)/t8-,9+,10-,11+,12-,14+,15+,16+/m1/s1
    • InChI Key: KKGHSVKNCUMEEN-XKUHUSTMSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H]2C(CO)=CC[C@@]2(C(C(=O)O)=CO1)O

Computed Properties

  • Exact Mass: 390.116
  • Monoisotopic Mass: 390.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 646
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.2
  • Topological Polar Surface Area: 186
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