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b-Phenylethyl b-D-Glucoside

CAT: 0572-TRC-P320865-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P320865-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18997-54-1
Hazard Statement
Harmful if swallowed.
Smiles
OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C14 H20 O6
Molecular Weight
284.3
InChI
InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
Additionnal Information
IUPAC name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenylethyl beta-D-glucopyranoside

Phenylethyl beta-D-glucopyranoside is a glycoside.

CAS Number18997-54-1
PubChem CID11289099
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
Molecular FormulaC14H20O6
Molecular Weight284.30
XLogP-0.2
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity281
SMILES
C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
MLRIJUWUQTVDQE-RKQHYHRCSA-N
Chemical Structure
2D Structure
2D structure of Phenylethyl beta-D-glucopyranoside
CAS: 18997-54-1
CID: 11289099
Formula: C14H20O6
MW: 284.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.30
XLogP3-0.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass284.12598835
Monoisotopic Mass284.12598835
Topological Polar Surface Area99.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity281
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
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294619-01B-Sitosterol b-D-glucoside
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294478-01Phenylethyl b-D-glucopyranoside
294385-01Phenylethyl b-D-galactopyranoside
Y46362003b-D-Glucoside glycohydrolase
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