U0126-EtOH


Chemical Name: U0126-EtOH
CAS Number: 1173097-76-1
Product Number: AG008TKF(AGN-PC-0PAANU)
Synonyms:
MDL No:
Molecular Formula: C20H22N6OS2
Molecular Weight: 426.5583

Identification/Properties


Computed Properties
Molecular Weight:
426.557g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
426.13g/mol
Monoisotopic Mass:
426.13g/mol
Topological Polar Surface Area:
223A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
612
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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