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Gastrodin

CAT: 0013-GTR19171260-04Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171260-04Size:500 mg
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Description
Gastrodin
CAS Number
62499-27-8
Product Name Alternative
Inhibit, Inhibitor, Gastrodine, Gastrodin
Field of Research
Cell Biology
Purity
99.87% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.99 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:252.5 mg/mL (882 mM)
Smiles
O ([C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) C2=CC=C (CO) C=C2
Molecular Formula
C13H18O7
Molecular Weight
286.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gastrodin

Gastrodin is a glycoside.

CAS Number62499-27-8
PubChem CID115067
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Molecular FormulaC13H18O7
Molecular Weight286.28
XLogP-0.8
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity292
SMILES
C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChIKey
PUQSUZTXKPLAPR-UJPOAAIJSA-N
Chemical Structure
2D Structure
2D structure of Gastrodin
CAS: 62499-27-8
CID: 115067
Formula: C13H18O7
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass286.10525291
Monoisotopic Mass286.10525291
Topological Polar Surface Area120 Ų
Heavy Atom Count20
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
300319Gastrodin

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