Skip to the beginning of the images gallery

Beta-D-Glucopyranosyl nitromethane - 99%, high purity , CAS No.81846-60-8

COA

Grade & Purity:

≥99%

Cas Number: 81846-60-8
Molecular Weight: 223.18
PubChem CID: 22865379

In stock

Item Number

B651552

Grouped product items
SKU	Size	Availability	Price	Qty
B651552-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
B651552-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Basic Description

Synonyms	beta-D-Glucopyranosylnitromethane \| AKOS040758367 \| (2R,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-(nitromethyl)tetrahydro-2H-pyran-3,4,5-triol \| E87966 \| DTXSID60628688 \| (2R,3S,4R,5R,6S)-2-(HYDROXYMETHYL)-6-(NITROMETHYL)OXANE-3,4,5-TRIOL \| beta-D-glucopyranosyl n
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Beta-D-Glucopyranosyl nitromethane, as a salt of a strongly basic anion exchanger in the OH cycle, is a glycosyl derivative of nitromethane.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Beta-D-Glucopyranosyl nitromethane, as a salt of a strongly basic anion exchanger in the OH cycle, is a glycosyl derivative of nitromethane. Form:Solid

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Glycosyl compounds
Direct Parent	C-glycosyl compounds
Alternative Parents	Hexoses Oxanes Secondary alcohols C-nitro compounds 1,2-diols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Hexose monosaccharide - C-glycosyl compound - Oxane - Monosaccharide - C-nitro compound - 1,2-diol - Secondary alcohol - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Dialkyl ether - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Polyol - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
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

IUPAC Name	(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(nitromethyl)oxane-3,4,5-triol
INCHI	InChI=1S/C7H13NO7/c9-2-4-6(11)7(12)5(10)3(15-4)1-8(13)14/h3-7,9-12H,1-2H2/t3-,4+,5-,6+,7+/m0/s1
InChIKey	CNILFIXWGGSLAQ-PJEQPVAWSA-N
Smiles	C(C1C(C(C(C(O1)CO)O)O)O)[N+](=O)[O-]
Isomeric SMILES	C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[N+](=O)[O-]
PubChem CID	22865379
Molecular Weight	223.18

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	H2O : 31.25 mg/mL (140.02 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight	223.180 g/mol
XLogP3	-2.200
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	223.069 Da
Monoisotopic Mass	223.069 Da
Topological Polar Surface Area	136.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	230.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration