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Geranyl b-D-glucoside

CAT: 0862-GC0550-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0862-GC0550-25mgSize:25 mg
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CAS Number
22850-13-1
Purity
95.00%
Hazardous Class
Not hazardous

Chemical Information

Geranyl glucoside

(2E)-3,7-Dimethyl-2,6-octadien-1-yl beta-D-glucopyranoside is a terpene glycoside.

CAS Number22850-13-1
PubChem CID10710515
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC16H28O6
Molecular Weight316.39
XLogP1.2
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity388
SMILES
CC(=CCC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)C
InChI
InChI=1S/C16H28O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,7,12-20H,4,6,8-9H2,1-3H3/b11-7+/t12-,13-,14+,15-,16-/m1/s1
InChIKey
RMMXLHZEVYNSJO-QYSJADTOSA-N
Chemical Structure
2D Structure
2D structure of Geranyl glucoside
CAS: 22850-13-1
CID: 10710515
Formula: C16H28O6
MW: 316.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.39
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass316.18858861
Monoisotopic Mass316.18858861
Topological Polar Surface Area99.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity388
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