6-Chloro-3-indolyl α-D-galactopyranoside - ≥98% , CAS No.198402-61-8

CAS: 198402-61-8 Cat. No.: C342903 Molecular Weight: 329.73 PubChem CID: 10286594

GRADE & PURITY ≥98%

Synonyms

A-D-GALACTOPYRANOSIDE,6-CHLORO-1H-INDOL-3-YL | MFCD02683908 | (2R,3R,4S,5R,6R)-2-[(6-CHLORO-1H-INDOL-3-YL)OXY]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL | 6-Chloro-3-indoxyl alpha-D-galactopyranoside | 6-Chloro-3-indolyl alpha -D-galactopyranoside | 6-Chloro-3-i

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A-D-GALACTOPYRANOSIDE, 6-CHLORO-1H-INDOL-3-YL | MFCD02683908 | (2R, 3R, 4S, 5R, 6R)-2-[(6-CHLORO-1H-INDOL-3-YL)OXY]-6-(HYDROXYMETHYL)OXANE-3, 4, 5-TRIOL | 6-Chloro-3-indoxyl alpha-D-galactopyranoside | 6-Chloro-3-indolyl alpha -D-galactopyranoside | 6-Chloro-3-i

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765373
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765373
• Canonical Smiles: C1=CC2=C(C=C1Cl)NC=C2OC3C(C(C(C(O3)CO)O)O)O
• IUPAC Name: (2R,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: OQWBAXBVBGNSPW-HTOAHKCRSA-N
• INCHI: 1S/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14+/m1/s1
• Isomeric SMILES: C1=CC2=C(C=C1Cl)NC=C2O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
• PubChem CID: 10286594
• Molecular Weight: 329.73

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Indoles Substituted pyrroles Aryl chlorides Benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Polyols Acetals Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Primary alcohols Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Indole - Indole or derivatives - Aryl chloride - Aryl halide - Monosaccharide - Oxane - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary alcohol - Oxacycle - Polyol - Acetal - Azacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Alcohol - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 329.730 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 329.067 Da
• Monoisotopic Mass: 329.067 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 388.000
• 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