ChemicalBook--->CAS DataBase List--->61145-39-9

61145-39-9

61145-39-9 Structure

61145-39-9 Structure
IdentificationBack Directory
[Name]

2-[(2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile
[CAS]

61145-39-9
[Synonyms]

Cyanomethyl-2,3,4,6-tetra-O-acetyl-a-D-thiomannopyranoside
2-[(2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl)thio]Acetonitrile
Acetonitrile,2-[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)thio]-
Cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside
2-[(2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile
[Molecular Formula]

C16H21NO9S
[MDL Number]

MFCD00070192
[MOL File]

61145-39-9.mol
[Molecular Weight]

403.4
Chemical PropertiesBack Directory
[Melting point ]

129-131 °C(Solv: methanol (67-56-1))
[Boiling point ]

493.4±45.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[InChI]

InChI=1/C16H21NO9S/c1-8(18)22-7-12-13(23-9(2)19)14(24-10(3)20)15(25-11(4)21)16(26-12)27-6-5-17/h12-16H,6-7H2,1-4H3/t12-,13-,14+,15+,16-/s3
[InChIKey]

ZNQCXCWNORCJGV-IKACPKQFNA-N
[SMILES]

C(#N)CS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |&1:4,6,12,17,22,r|
Hazard InformationBack Directory
[Uses]

Cyanomethyl-2,3,4,6-tetra-O-acetyl-α-D-thiomannopyranoside is a class of biochemical reagents used in glycobiology research. Glycobiology studies the structure, synthesis, biology, and evolution of sugars. It involves carbohydrate chemistry, enzymology of glycan formation and degradation, protein-glycan recognition, and the role of glycans in biological systems. This field is closely related to basic research, biomedicine, and biotechnology[1].
[References]

[1] Varki A, et al editors. Essentials of Glycobiology [Internet]. 4th ed. Cold Spring Harbor (NY): Cold Spring Harbor Laboratory Press; 2022. PMID:35536922
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