Linalool glucoside

CAT: 0926-FL183752-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FL183752-01Size:5 mg

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CAS Number

82928-12-9

Smiles

O (C (CCC=C (C) C) (C=C) C) [C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O

Molecular Formula

C16H28O6

Molecular Weight

316.39 g/mol

Controlled

Chemical Information

Linalool glucoside

CAS Number	82928-12-9
PubChem CID	45782927
IUPAC Name	(2S,3R,4S,5S,6R)-2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C16H28O6
Molecular Weight	316.39
XLogP	1.1
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	392

SMILES

CC(=CCCC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C

InChI

InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15+,16?/m1/s1

InChIKey

FLXYFXDZJHWWGW-MUGRSDNVSA-N

Chemical Structure

2D Structure

CAS: 82928-12-9

CID: 45782927

Formula: C16H28O6

MW: 316.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.39
XLogP3	1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	316.18858861
Monoisotopic Mass	316.18858861
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FG32735-01	Geranyl linalool
FL138844-01	Linalool - Natural grade
JBA99577-01	Trans-linalool oxide
FL30206-01	Linalool - synthetic grade
OZ30320-01	Trans-Zeatin-9-glucoside-o-glucoside
FGA83554-01	Diboa-glucoside
FC63181-01	Coco glucoside
MS44387-01	Stigmasterol glucoside
XG182727-01	Guaiacol glucoside
XB182721-01	(-) -Borneol glucoside

Catalog	Name
451155	Geranyl Linalool O-β-D-Glucoside
TRC-G367740-250MG	Geranyl Linalool O-beta-D-Glucoside
281324-01	Linalool
sc-506060	(−) -Linalool