524-36-7 Purity
98%
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Specification
The molecular formula of s-Adenosylethionine is C16H25N6O5S.
s-Adenosylethionine was first created on February 12, 2007.
The molecular weight of s-Adenosylethionine is 413.5 g/mol.
The Canonical SMILES of s-Adenosylethionine is CC[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.
The InChIKey of s-Adenosylethionine is UBQZUBPODLPCFG-PIBDHAAFSA-O.
s-Adenosylethionine has 10 hydrogen bond acceptors.
The XLogP3 value of s-Adenosylethionine is -3.1.
The topological polar surface area of s-Adenosylethionine is 184 2.
s-Adenosylethionine has 8 rotatable bond counts.
Yes, s-Adenosylethionine is a canonicalized compound according to PubChem.