AL 8810 isopropyl ester


Chemical Name: AL 8810 isopropyl ester
CAS Number: 208114-93-6
Product Number: AG002JIB(AGN-PC-0WAIBG)
Synonyms:
MDL No:
Molecular Formula: C27H37FO4
Molecular Weight: 444.5787

Identification/Properties


Computed Properties
Molecular Weight:
444.587g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
11
Exact Mass:
444.268g/mol
Monoisotopic Mass:
444.268g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
632
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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