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Trans-Zeatin 9-glucoside

CAT: 0013-GTR19279296-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279296-01Size:10 mg
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Description
Trans-Zeatin9-glucoside (trans-Zeatin glucoside; Zeatin 9-glucoside) is a 9-glucoside derivative of the cytokinin trans-Zeatin, identified in Perilla frutescens.
CAS Number
51255-96-0
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (NC/C=C (/CO) \C) N=CN3) O[C@H] (CO) [C@@H] (O) [C@@H]1O
Molecular Formula
C16H23N5O6
Molecular Weight
381.39
Notes
For research use only.

Chemical Information

trans-Zeatin glucoside

9-(beta-D-glucosyl)-trans-zeatin is an N-glycosylzeatin that is trans-zeatin having a beta-D-glucopyranosyl residue attached at position N-9. It has a role as a plant metabolite. It is a glucosyl-N(6)-isopentenyladenine and a N-glycosylzeatin.

CAS Number51255-96-0
PubChem CID9842892
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxane-3,4,5-triol
Molecular FormulaC16H23N5O6
Molecular Weight381.38
XLogP-0.8
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO
InChI
InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
InChIKey
VYRAJOITMBSQSE-HNVSNYHQSA-N
Chemical Structure
2D Structure
2D structure of trans-Zeatin glucoside
CAS: 51255-96-0
CID: 9842892
Formula: C16H23N5O6
MW: 381.38
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight381.38
XLogP3-0.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass381.16483347
Monoisotopic Mass381.16483347
Topological Polar Surface Area166 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes