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

Technical Data

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:	159Å²
Undefined Atom Stereocenter Count:	5
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4