4-Isothiocyanatophenyl α-D-Mannopyranoside is an organic isothiocyanate, a building block/intermediate and reagent useful in the preparation of new glycoproteins.

Physicochemical Properties

Molecular Formula	C13H15NO6S
Molecular Weight	313.33
Exact Mass	313.062
CAS #	96345-79-8
PubChem CID	11023405
Appearance	White to off-white solid powder
Melting Point	180-181ºC
Index of Refraction	1.659
LogP	1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	21
Complexity	383
Defined Atom Stereocenter Count	5
SMILES	O(C1C=CC(N=C=S)=CC=1)[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
InChi Key	RWANFUZQWINQBY-BNDIWNMDSA-N
InChi Code	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
Chemical Name	(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Lamptey RNL, et, al. Synthesis and Characterization of Fatty Acid Grafted Chitosan Polymeric Micelles for Improved Gene Delivery of VGF to the Brain through Intranasal Route. Biomedicines. 2022 Feb 19;10(2):493.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (797.88 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.64 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.64 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.1915 mL	15.9576 mL	31.9152 mL
	5 mM	0.6383 mL	3.1915 mL	6.3830 mL
	10 mM	0.3192 mL	1.5958 mL	3.1915 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.