ACET


Chemical Name: ACET
CAS Number: 936095-50-0
Product Number: AG003A2Z(AGN-PC-0WAI0K)
Synonyms:
MDL No:
Molecular Formula: C20H19N3O6S
Molecular Weight: 429.4464

Identification/Properties


Computed Properties
Molecular Weight:
431.463g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
431.115g/mol
Monoisotopic Mass:
431.115g/mol
Topological Polar Surface Area:
170A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
698
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



The (αS)-α-Amino-3-[(2-carboxy-5-phenyl-3-thienyl)methyl]-3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinepropanoic acid plays a crucial role in chemical synthesis as a versatile building block. Due to its unique structure and functional groups, it can be utilized in the creation of complex molecules through various synthetic pathways. Its amino acid backbone provides a platform for introducing additional functional groups or modifying existing ones, making it valuable in the design and synthesis of novel compounds. The carboxylic acid moiety offers opportunities for chemical reactions such as amidation, esterification, or coupling reactions, allowing for the attachment of diverse substituents. Furthermore, the thienyl and phenyl groups present in the molecule can participate in aromatic chemistry, enabling the formation of intricate molecular structures with enhanced properties. This compound's flexibility and reactivity make it a valuable tool in the hands of synthetic chemists for the construction of diverse chemical entities with potential applications across various fields.