WATER’S HYDROGEN BONDING WITH TWO CHOLIC ACID RESIDUES

Author (s) : T.Sudha, K.Kokila, Dr.D.Saravanan, Dr.D.Kodimunthiri

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Abstract :
With three hydroxy groups at carbon atoms C-3, C-7, and 12, two methyl groups at carbon atoms C-10 and C-13 of the steroid nucleus, and a carboxylic group at carbon atom C24 of the side alkyl chain, cholic acid is a trihydroxy bile acid. The edge distance between oxygen atoms in ice and the distance between oxygen atoms linked to C-7 and C-12 (4.5) are exactly the same. Thus, a cholic acid dimer with one water molecule enclosed between two cholic residues and mimicking an ice-like shape is designed. The water molecule participates in four hydrogen bonds, acting as both a donor to the O-7-H groups and an acceptor of the O12-H hydroxy groups (two bonds with lengths of 2.177 and 2.114).

Keywords : bile acid; cholic acid; hydrogen bond; atoms in molecules theory; electronic density; critical points

Conference Date : 17/09/2021

Pages : 140

Paper ID : IESMDT138