α-Homonojirimycin - ≥98%(HPLC) , CAS No.119557-99-2

CAS: 119557-99-2 Cat. No.: A151190 Formule: C₇H₁₅NO₅ Poids moléculaire: 193.2

GRADE & PURITY ≥98%(HPLC)

Synonyms

Hnj cpd | alpha-Homoallonojirimycin | AS-71348 | Homonojirimycin | Homo-nojirimycin | 2,6-bis(hydroxymethyl)piperidine-3,4,5-triol | BB 0220378 | alpha-Homonojirimycin, >=98.0% (TLC) | BDBM50259956 | BDBM50403720 | (2r,3r,5s,6r)-2,6-bis(hydroxymethyl)pipe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Hnj cpd | alpha-Homoallonojirimycin | AS-71348 | Homonojirimycin | Homo-nojirimycin | 2,6-bis(hydroxymethyl)piperidine-3,4,5-triol | BB 0220378 | alpha-Homonojirimycin, >=98.0% (TLC) | BDBM50259956 | BDBM50403720 | (2r,3r,5s,6r)-2,6-bis(hydroxymethyl)pipe

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

Sourires canoniques

C(C1C(C(C(C(N1)CO)O)O)O)O

IUPAC Name

(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol

InChIKey

CLVUFWXGNIFGNC-QTSLKERKSA-N

INCHI

1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1

Isomères SMILES

C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O

Poids moléculaire

193.2

Reaxy-Rn

24713573

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24713573&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Secondary alcohols 1,2-aminoalcohols Polyols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Polyol - Secondary amine - Azacycle - Primary alcohol - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• External Descriptors: Not available

Data sources

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

Propriétés chimiques et physiques

• Point de fusion (°C): 207°C(lit.)
• Poids moléculaire: 193.200 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 193.095 Da
• Monoisotopic Mass: 193.095 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 119557-99-2, the molecular formula is C7H15NO5, and the molecular weight is 193.2 g/mol. InChIKey CLVUFWXGNIFGNC-QTSLKERKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.