Alpha-D-mannopyranosylphenyl isothiocyanate

• CAS: 96345-79-8
• Catalog Number: ACM96345798
• Category: Other Products
• Molecular Weight: 313.33
• Molecular Formula: C13H15NO6S
• 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
• 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
• Refractive Index: 1.659
• Shipping: normal
• WGK Germany: 3
• XLogP3: 1.659

Case Study

α-D-Mannopyranosylphenyl Isothiocyanate for Preparation of Targetable Nanoparticles for MR Imaging

Muthiah M, et al. Carbohydrate polymers, 2013, 92(2): 1586-1595.

Mannose-PEG-SPION prepared by α-D-mannopyranosylphenyl isothiocyanate shows great potential in lymph node-specific magnetic resonance (MR) imaging. Mannose in the Mannose-PEG-SPION efficiently targets the antigen-presenting cells (APCs) in lymph node.
Synthesis process of Mannose-PEG-SPION
· Conjugating d-mannopyranosylphenyl isothiocyanate and amine-PEG-carboxyl to prepare mannose-polyethylene glycol (PEG).
· The 3-aminopropyltriethoxysilane (APTES)-activated superparamagnetic iron oxide nanoparticles (SPIONs) and the mannose-PEG were cross-linked to produce mannose-PEG-linked SPION (Mannose-PEG-SPION).

Custom Q&A

What is the molecular formula of Alpha-D-mannopyranosylphenyl isothiocyanate?

The molecular formula of Alpha-D-mannopyranosylphenyl isothiocyanate is C13H15NO6S.

What is the molecular weight of Alpha-D-mannopyranosylphenyl isothiocyanate?

The molecular weight of Alpha-D-mannopyranosylphenyl isothiocyanate is 313.33 g/mol.

What is the IUPAC name of Alpha-D-mannopyranosylphenyl isothiocyanate?

The IUPAC name of Alpha-D-mannopyranosylphenyl isothiocyanate is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol.

What is the Canonical SMILES representation of Alpha-D-mannopyranosylphenyl isothiocyanate?

The Canonical SMILES representation of Alpha-D-mannopyranosylphenyl isothiocyanate is C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)CO)O)O)O.

How many hydrogen bond donor counts are there in Alpha-D-mannopyranosylphenyl isothiocyanate?

There are 4 hydrogen bond donor counts in Alpha-D-mannopyranosylphenyl isothiocyanate.

How many hydrogen bond acceptor counts are there in Alpha-D-mannopyranosylphenyl isothiocyanate?

There are 8 hydrogen bond acceptor counts in Alpha-D-mannopyranosyl isothiocyanate.

What is the XLogP3 value of Alpha-D-mannopyranosylphenyl isothiocyanate?

The XLogP3 value of Alpha-D-mannopyranosylphenyl isothiocyanate is 1.

How many rotatable bond counts are there in Alpha-D-mannopyranosylphenyl isothiocyanate?

There are 4 rotatable bond counts in Alpha-D-mannopyranosyl isothiocyanate.

What is the topological polar surface area of Alpha-D-mannopyranosylphenyl isothiocyanate?

The topological polar surface area of Alpha-D-mannopyranosylphenyl isothiocyanate is 144 Ų.

Is Alpha-D-mannopyranosylphenyl isothiocyanate a canonicalized compound?

Yes, Alpha-D-mannopyranosylphenyl isothiocyanate is a canonicalized compound.