Alpha-D-mannopyranosylphenyl isothiocyanate

CAS
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CAS
96345-79-8
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Purity
≥95%
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Catalog Number

ACM96345798

Product Name

Alpha-D-mannopyranosylphenyl isothiocyanate

Structure

CAS

96345-79-8

Category

Heterocyclic Organic Compound

Description

4-Isothiocyanatophenyl alpha-D-mannopyranoside (4-ITC-α-D-Manp) is a type of isothiocyanate (ITC) compound that is found in many plants and vegetables, such as broccoli and Brussels sprouts. It is a naturally occurring compound that has been studied extensively for its potential health benefits.

Synonyms

4-Isothiocyanatophenyl-α-D-mannopyranoside

IUPAC Name

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol

Molecular Weight

313.33

Molecular Formula

C13H15NO6S

Canonical SMILES

C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2/t9-,10-,11+,12+,13+/m1/s1

InChI Key

RWANFUZQWINQBY-BNDIWNMDSA-N

Boiling Point

577.53° C at 760 mmHg

Melting Point

180-181ºC

Solubility

Soluble in Acetone:DMSO (7:3) (50 mg/ml), water, DMSO, and methanol.

Appearance

Powder

Application

4-4-Isothiocyanatophenyl alpha-D-mannopyranoside-α-D-Manp has been studied extensively in scientific research. It has been shown to possess anti-inflammatory, antioxidant, and anticancer properties. It has been found to inhibit the growth of cancer cells, as well as to reduce inflammation and oxidative stress. In addition, 4-4-Isothiocyanatophenyl alpha-D-mannopyranoside-α-D-Manp has been studied for its potential to modulate the immune system and to protect against neurodegenerative diseases.

Storage

Store at 2-8 ℃

Exact Mass

313.062

HTS Code

2932999099

Isomeric SMILES

C1=CC(=CC=C1N=C=S)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

MDL Number

MFCD00070374

PSA

143.83