Kinetin-9-glucoside - CAS 98177-43-6
Catalog: |
BB060487 |
Product Name: |
Kinetin-9-glucoside |
CAS: |
98177-43-6 |
Synonyms: |
6-Furfurylamino-9-ß-D-glucopyranosylpurine; N-(2-Furanylmethyl)-9-β-D-glucopyranosyl-9H-purin-6-amine; N-Furfuryl-9-β-D-glucopyranosyladenine; N-Furfuryl-9-β-D-glucopyranosyl-adenine |
IUPAC Name: | 2-[6-(furan-2-ylmethylamino)purin-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triol |
Description: | Kinetin-9-glucoside can be used for therapeutic use and biological study as immunostimulant; immunostimulatory activities of flavonoid glycosides and their use as adjuvants. |
Molecular Weight: | 377.35 |
Molecular Formula: | C16H19N5O6 |
Canonical SMILES: | C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(C(O4)CO)O)O)O |
InChI: | InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19) |
InChI Key: | OYLTWZIEBYEQGY-UHFFFAOYSA-N |
References: | Lim, E., K., et al. PCT Int. Appl., WO 2009093007 A2 20090730 (2009). |
Complexity: | 504 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 377.13353334 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 377.13353334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 159Ų |
Undefined Atom Stereocenter Count: | 5 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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