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Methyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside - ≥95%, high purity , CAS No.4860-85-9
Basic Description
Synonyms
FT-0672204 | Methyl .alpha.-D-mannopyranoside tetraacetate | Methyl 2,3,4,6-tetra-O-acetylhexopyranoside | Glucopyranoside, tetraacetate, .alpha.-D- | .alpha.-D-Mannopyranoside, tetraacetate | NSC1963 | NSC-1963 | SCHEMBL22672902 | .alpha.-D-Glucopyranosi
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tetracarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tetracarboxylic acids and derivatives
Alternative Parents
O-glycosyl compounds Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Tetracarboxylic acid or derivatives - O-glycosyl compound - Glycosyl compound - Oxane - Monosaccharide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
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.
Names and Identifiers
IUPAC Name
(3,4,5-triacetyloxy-6-methoxyoxan-2-yl)methyl acetate
INCHI
InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3
InChIKey
UYWUMFGDPBMNCA-UHFFFAOYSA-N
Smiles
CC(=O)OCC1C(C(C(C(O1)OC)OC(=O)C)OC(=O)C)OC(=O)C
Isomeric SMILES
CC(=O)OCC1C(C(C(C(O1)OC)OC(=O)C)OC(=O)C)OC(=O)C
Molecular Weight
362.33
Reaxy-Rn
16521711
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16521711&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
362.330 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
10
Exact Mass
362.121 Da
Monoisotopic Mass
362.121 Da
Topological Polar Surface Area
124.000 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
516.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
5
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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