5-trans U-46619


Chemical Name: 5-trans U-46619
CAS Number: 330796-58-2
Product Number: AG01DPFM(AGN-PC-0WAI99)
Synonyms:
MDL No:
Molecular Formula: C21H34O4
Molecular Weight: 350.4923

Identification/Properties


Computed Properties
Molecular Weight:
350.499g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
12
Exact Mass:
350.246g/mol
Monoisotopic Mass:
350.246g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
457
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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