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Gastrodin

CAT: 1596-AR-G01143-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01143-03Size:50 Units
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CAS Number
62499-27-8
Synonyms
(2R,3S,4S,5R,6S) -2- (hydroxymethyl) -6- (4- (hydroxymethyl) phenoxy) tetrahydro-2H-pyran-3,4,5-triol;4- (?-D-Glucopyranosyl) -benzylalcohol; 4- (?-D-Glucopyranosyloxy) benzyl Alcohol; 4-Hydroxybenzyl Alcohol 4-O-?-D-Glucopyranoside; Gastrodin
Molecular Formula
C13H18O7
Molecular Weight
286.28
API Name
Gastrodin

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

Alternative Products

CatalogName
300319Gastrodin

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