2-Nitrophenyl β-D-fucopyranoside - ≥98% , CAS No.1154-94-5

CAS: 1154-94-5 Cat. No.: N336254 Molecular Weight: 285.25 PubChem CID: 150889

GRADE & PURITY ≥98%

Synonyms

CHEBI:44419 | (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol | (2R,3R,4S,5R,6S)-2-Methyl-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol | onpf | beta-D-Galactopyranoside, 2-nitrophenyl 6-deoxy- | DB08297 | 2-nitrophenyl beta-D-fucoside |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

CHEBI:44419 | (2R, 3R, 4S, 5R, 6S)-2-methyl-6-(2-nitrophenoxy)oxane-3, 4, 5-triol | (2R, 3R, 4S, 5R, 6S)-2-Methyl-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3, 4, 5-triol | onpf | beta-D-Galactopyranoside, 2-nitrophenyl 6-deoxy- | DB08297 | 2-nitrophenyl beta-D-fucoside |

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188224
• Canonical Smiles: CC1C(C(C(C(O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O
• IUPAC Name: (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol
• InChIKey: SWRPIVXPHLYETN-BVWHHUJWSA-N
• INCHI: 1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O
• WGK Germany: 3
• PubChem CID: 150889
• Molecular Weight: 285.25

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: O-glycosyl compounds Nitrobenzenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Oxanes Monosaccharides Secondary alcohols Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Acetals Polyols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - O-glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - C-nitro compound - Organic nitro compound - Secondary alcohol - Acetal - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Polyol - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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: beta-D-fucoside

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

• Solubility: Insoluble in water.
• Refractive Index: n20D1.62 (Predicted)
• Boil Point(°C): 506.24° C at 760 mmHg (Predicted)
• Melt Point(°C): 188.97° C (Predicted)
• Molecular Weight: 285.250 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 285.085 Da
• Monoisotopic Mass: 285.085 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 347.000
• 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