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4-Isothiocyanatophenyl α-D-Mannopyranoside - ≥95%, high purity , CAS No.96345-79-8

2 Citations

COA

Grade & Purity:

≥95%

Cas Number: 96345-79-8
Molecular Weight: 313.33
PubChem CID: 11023405
PubChem SID: 504765901

In stock

Item Number

D350650

Grouped product items
SKU	Size	Availability	Price
D350650-10mg	10mg	5	$151.90
D350650-25mg	25mg	3	$315.90
D350650-50mg	50mg	3	$567.90
D350650-100mg	100mg	3	$1,021.90

a compound used in the preparation of neoglycoproteins

Basic Description

Synonyms	(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol \| 4-Isothiocyanatophenyl \| HY-132996 \| alpha-D-Mannopyranosylphenyl isothiocyanate \| W-204140 \| E75367 \| DTXSID50452318 \| (2R,3S,4S,5S,6R)-2-(HYDROXYMETHYL)-6-(
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	α-D-Mannopyranosylphenyl isothiocyanate is suitable for preparing neoglycoproteins.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Glycosyl compounds
        Level6 Phenolic glycosides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Glycosyl compounds
Direct Parent	Phenolic glycosides
Alternative Parents	Hexoses O-glycosyl compounds Phenoxy compounds Phenol ethers Oxanes Secondary alcohols Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Isothiocyanate - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Alcohol - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504765901
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765901
IUPAC Name	(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
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
InChIKey	RWANFUZQWINQBY-BNDIWNMDSA-N
Smiles	C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)CO)O)O)O
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
PubChem CID	11023405
Molecular Weight	313.33

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
C2504175	Certificate of Analysis	Jan 03, 2023	D350650
C2309468	Certificate of Analysis	Jan 03, 2023	D350650
C2309469	Certificate of Analysis	Jan 03, 2023	D350650
C2309465	Certificate of Analysis	Jan 03, 2023	D350650
C2309464	Certificate of Analysis	Jan 03, 2023	D350650

Chemical and Physical Properties

Solubility	Soluble in Acetone:DMSO (7:3) (50 mg/ml).
Boil Point(°C)	577.53° C at 760 mmHg (Predicted)
Melt Point(°C)	179-182° C
Molecular Weight	313.330 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	313.062 Da
Monoisotopic Mass	313.062 Da
Topological Polar Surface Area	144.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	383.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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