(Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
(Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
Molecular Identity
(Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
(Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
PubChem CID: 6604763
2D Structure
Properties
C22H23ClO5
Molecular Formula
402.90
Molecular Weight
g/mol
402.1234
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
76
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
525
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)CC=CCCC(=O)OIsomeric SMILES
SMILES: C1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)C/C=C\CCC(=O)OSynonyms(20)
CHEMBL30024(Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid4-(Z)-6-(2-O-CHLOROPHENYL-4-O-HYDROXYPHENYL-1,3-DIOXAN-CIS-5-YL)HEXENOICACIDICI 192,60554016-00-14-Bromo-6,7-dihydro-dipyrido[1,2-a:2',1'-c]pyrazinediium DibromideTocris-0837N9V9W560PWSCHEMBL1894938SER150ICI192605;ICI 192605;ICI-191606;ICI191606;ICI 191606SCHEMBL29648756SER-150HMS3411P03HMS3675P03
Data from PubChem (NCBI)
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Molecular Structure
(Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
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Drug Network
Trials and conditions connected to (Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
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