Methyl 2,3,6-Tri-O-benzoyl-α-D-galactopyranoside - ≥98% , CAS No.3601-36-3

CAS: 3601-36-3 Cat. No.: M157835 Molecular Weight: 506.51

GRADE & PURITY ≥98%

Synonyms

[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate | A-D-galactopyranoside | AMY24693 | D91556 | MFCD06200842 | (2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3,4-diyl dibenzoate | A874464 | Met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

[(2R, 3S, 4S, 5R, 6S)-4, 5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate | A-D-galactopyranoside | AMY24693 | D91556 | MFCD06200842 | (2S, 3R, 4S, 5S, 6R)-6-((benzoyloxy)methyl)-5-hydroxy-2-methoxytetrahydro-2H-pyran-3, 4-diyl dibenzoate | A874464 | Met

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: 504765746
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765746
• Canonical Smiles: COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
• IUPAC Name: [(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
• InChIKey: WXFFEILSURAFKL-SUWSLWCISA-N
• INCHI: 1S/C28H26O9/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(29)21(35-28)17-34-25(30)18-11-5-2-6-12-18/h2-16,21-24,28-29H,17H2,1H3/t21-,22+,23+,24-,28+/m1/s1
• Isomeric SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
• Molecular Weight: 506.51
• Reaxy-Rn: 45812665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45812665&ln=

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: Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Oxanes Monosaccharides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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

• Solubility: Soluble in Chloroform
• Sensitivity: Heat Sensitive
• Specific Rotation[α]: 123° (C=1,CHCl3)
• Melt Point(°C): 143 °C
• Molecular Weight: 506.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 506.158 Da
• Monoisotopic Mass: 506.158 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 753.000
• 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