Nerol glucoside

CAT: 0926-XN182734-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-XN182734-02Size:250 mg

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CAS Number

22850-14-2

Synonyms

(2Z) -3,7-Dimethyl-2,6-octadien-1-yl-O-β-D-glucopyranoside

Smiles

O (C/C=C (\CCC=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

Nerol glucoside

CAS Number	22850-14-2
PubChem CID	10567416
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C16H28O6
Molecular Weight	316.39
XLogP	1.2
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	388

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-LJEOGPRASA-N

Chemical Structure

2D Structure

CAS: 22850-14-2

CID: 10567416

Formula: C16H28O6

MW: 316.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.39
XLogP3	1.2
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	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FN76721-01	Nerol
BAA78608-01	Nerol oxide
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
FL183752-01	Linalool glucoside
CCA76670-01	Medicarpin glucoside