Synthesis, antiproliferative, and antioxidant evaluation of 2-pentylquinazolin-4(3H)-one(thione) derivatives with DFT study was written by El-Sayed, Amira A.;Ismail, Mahmoud F.;Amr, Abd El-Galil E.;Naglah, Ahmed M.. And the article was included in Molecules in 2019.Computed Properties of C16H22O11 The following contents are mentioned in the article:
The antiproliferative and antioxidant activities of some novel 2-pentylquinazolin-4(3H)-one(thione) derivatives I [R1 = H, NH2, CH2CH2OH, etc.; X = O, S]. Antiproliferative (against two cell lines namely, HepG2 and MCF-7) and antioxidant (by two methods; ABTS and DPPH) activities of the compounds were investigated and among them derivatives I [R1 = H, NH2; X = S] exhibited excellent potencies comparable to quinazolinone derivatives [R1 = H, NH2; X = O], resp. Noteworthy, most of antiproliferative and antioxidant activities results for the tested compounds were consistent with the DFT calculations This study involved multiple reactions and reactants, such as (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3Computed Properties of C16H22O11).
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Computed Properties of C16H22O11
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics