Cas no 119187-86-9 (6,6-Kestotetraose)

6,6-Kestotetraose structure
6,6-Kestotetraose structure
Product Name:6,6-Kestotetraose
CAS No:119187-86-9
MF:C24H42O21
MW:666.577690601349
CID:185627
Update Time:2023-08-03

6,6-Kestotetraose Chemical and Physical Properties

Names and Identifiers

    • 1) (6CI)
    • 6)-b-D-fructofuranosyl (9CI)
    • 6)-O-b-D-fructofuranosyl-(2&reg
    • 6,6-Kestotetraose
    • OE5SAG0VXH
    • beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside
    • 6,6-Nystose
    • Q27133484
    • o-beta-D-Fructofuranosyl-(2->6)-o-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside
    • alpha-D-Glucopyranoside, o-beta-D-fructofuranosyl-(2->6)-o-beta-D-fr
    • Inchi: 1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-29)20(38)15(33)11(44-24)4-40-23(6-28)19(37)14(32)10(43-23)3-39-22(5-27)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1
    • InChI Key: OLSNVZYFDBPHML-DLQNOBSRSA-N
    • SMILES: O1[C@H](CO[C@@]2(CO)[C@H]([C@@H]([C@@H](CO[C@@]3(CO)[C@H]([C@@H]([C@@H](CO)O3)O)O)O2)O)O)[C@H]([C@@H]([C@]1(CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 13
  • Complexity: 964
  • XLogP3: -7.4
  • Topological Polar Surface Area: 348
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