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Glucolimnanthin

CAT: 1410-M32075-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M32075-02Size:10 mg
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Description
Glucolimnanthin is a natural product for research related to life sciences.
CAS Number
111810-95-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
477.6
Molecular Formula
C15H20KNO10S2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Glucolimnanthin

Glucolimnanthin is an aralkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a (2-(3-methoxyphenyl)-N-(sulfooxy)ethanimidoyl group at the anomeric sulfur. It is a monomethoxybenzene and an aralkylglucosinolic acid. It is a conjugate acid of a glucolimnanthin(1-).

CAS Number111810-95-8
PubChem CID20843359
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(3-methoxyphenyl)-N-sulfooxyethanimidothioate
Molecular FormulaC15H21NO10S2
Molecular Weight439.5
XLogP-0.2
Topological Polar Surface Area209
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity625
SMILES
COC1=CC=CC(=C1)C/C(=N/OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/b16-11-/t10-,12-,13+,14-,15+/m1/s1
InChIKey
RYDIUEJGEAUJAI-OOMJLXHVSA-N
Chemical Structure
2D Structure
2D structure of Glucolimnanthin
CAS: 111810-95-8
CID: 20843359
Formula: C15H21NO10S2
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP3-0.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass439.06068821
Monoisotopic Mass439.06068821
Topological Polar Surface Area209 Ų
Heavy Atom Count28
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN4144Glucolimnanthin
VJA55059-01Glucolimnanthin potassium salt

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