Nω-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-Nα-(tert-butoxycarbonyl)-L-asparagine - ≥96%(HPLC) , CAS No.137255-40-4

CAS: 137255-40-4 Cat. No.: N159758 Molecular Weight: 435.43 PubChem CID: 11004598

GRADE & PURITY ≥96%(HPLC)

Synonyms

Nomega-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine | DTXSID20451515 | W-201157 | N-omega-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-N-a-Boc-L-asparagine | Nomega-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-Nalpha-Bo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Nomega-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine | DTXSID20451515 | W-201157 | N-omega-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-N-a-Boc-L-asparagine | Nomega-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-Nalpha-Bo

Specifications & Purity

≥96%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765870
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765870
• Canonical Smiles: CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)O)NC(=O)OC(C)(C)C)CO)O)O
• IUPAC Name: (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
• InChIKey: YVKMLCHQJOPFTE-WBXKCMFOSA-N
• INCHI: 1S/C17H29N3O10/c1-7(22)18-11-13(25)12(24)9(6-21)29-14(11)20-10(23)5-8(15(26)27)19-16(28)30-17(2,3)4/h8-9,11-14,21,24-25H,5-6H2,1-4H3,(H,18,22)(H,19,28)(H,20,23)(H,26,27)/t8-,9+,11+,12+,13+,14+/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)CO)O)O
• PubChem CID: 11004598
• Molecular Weight: 435.43
• Reaxy-Rn: 8294668

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides
• Alternative Parents: Asparagine and derivatives Hexoses Branched fatty acids Hydroxy fatty acids Heterocyclic fatty acids Oxanes N-acyl amines Acetamides Carbamate esters Secondary carboxylic acid amides Secondary alcohols 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty n-acyl glycoside - Asparagine or derivatives - Hexose monosaccharide - Alpha-amino acid or derivatives - Hydroxy fatty acid - Branched fatty acid - Heterocyclic fatty acid - Monosaccharide - N-acyl-amine - Oxane - Fatty amide - Fatty acid - Acetamide - Carbamic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - 1,2-diol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acyl glycosides. These are compounds containing fatty acyl chain linked to a carbohydrate moiety through a glycosidic bond. Fatty acyl glycosides are composed of a glycosyl moiety (one or several units) linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture & heat sensitive
• Specific Rotation[α]: 18° (C=1,DMSO)
• Melt Point(°C): 213°C(lit.)
• Molecular Weight: 435.400 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 435.185 Da
• Monoisotopic Mass: 435.185 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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