4-Hexenoic acid,6-[(2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-,(4Z)-rel-


Chemical Name: 4-Hexenoic acid,6-[(2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-,(4Z)-rel-
CAS Number: 117621-64-4
Product Number: AG0081H1(AGN-PC-0PAQUQ)
Synonyms:
MDL No: MFCD00673936
Molecular Formula: C22H23ClO5
Molecular Weight: 402.8680

Identification/Properties


Computed Properties
Molecular Weight:
402.871g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
402.123g/mol
Monoisotopic Mass:
402.123g/mol
Topological Polar Surface Area:
76A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
525
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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