5-Bromo-4-chloro-3-indolyl β-D-xylopyranoside - ≥98% , CAS No.207606-55-1

CAS: 207606-55-1 Cat. No.: B352045 Peso molecular: 378.6 PubChem CID: 2733917

GRADE & PURITY ≥98%

Synonyms

5-Bromo-4-chloro-3-indolyl beta-D-xylopyranoside, >=99.0% | A-D-xylopyranoside | X-Xyl | AMY41673 | DTXSID40370037 | 5-bromo-4-chloro-3-indolyl-beta-d-xylopyranoside | 5-Bromo-4-chloro-3-indolyl beta-D-xylopyranoside | 5-Bromo-4-chloro-3-indolyl beta -D-x

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-Bromo-4-chloro-3-indolyl beta-D-xylopyranoside, >=99.0% | A-D-xylopyranoside | X-Xyl | AMY41673 | DTXSID40370037 | 5-bromo-4-chloro-3-indolyl-beta-d-xylopyranoside | 5-Bromo-4-chloro-3-indolyl beta-D-xylopyranoside | 5-Bromo-4-chloro-3-indolyl beta -D-x

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1C(C(C(C(O1)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O)O)O
• IUPAC Name: (2S,3R,4S,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
• InChIKey: LXVCKAHHHVVOJV-KQXJFYCDSA-N
• INCHI: 1S/C13H13BrClNO5/c14-5-1-2-6-9(10(5)15)8(3-16-6)21-13-12(19)11(18)7(17)4-20-13/h1-3,7,11-13,16-19H,4H2/t7-,11+,12-,13+/m1/s1
• Isómeros SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O)O)O
• WGK Alemania: 3
• PubChem CID: 2733917
• Peso molecular: 378.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Pentoses Indoles Aryl bromides Aryl chlorides Benzenoids Substituted pyrroles Oxanes Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Acetals Polyols Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: O-glycosyl compound - Pentose monosaccharide - Indole - Indole or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Monosaccharide - Oxane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary alcohol - Polyol - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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

Propiedades químicas y físicas

• Solubilidad: practically insoluble in water,soluble in methano.
• Índice de refracción: n20D1.75 (Predicted)
• Punto de ebullición (°C): 650.57° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 220.85° C (Predicted)
• Peso molecular: 378.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 376.967 Da
• Monoisotopic Mass: 376.967 Da
• Topological Polar Surface Area: 94.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 378.000
• 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