14536-19-7 Purity
95%
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Specification
The molecular formula of 1-Oxoadenosine is C10H13N5O5.
The synonyms for 1-Oxoadenosine are Adenosine N1-oxide and Adenosine, 1-oxide.
The molecular weight of 1-Oxoadenosine is 283.24 g/mol.
1-Oxoadenosine was created on August 1, 2005, and last modified on October 21, 2023.
The IUPAC name of 1-Oxoadenosine is (2R,3R,4S,5R)-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
The InChI of 1-Oxoadenosine is InChI=1S/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2/t4-,6-,7-,10-/m1/s1.
The InChIKey of 1-Oxoadenosine is QHFLZHVITNUFMV-KQYNXXCUSA-N.
The Canonical SMILES of 1-Oxoadenosine is C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=N)O.
The CAS number of 1-Oxoadenosine is 146-92-9.
The XLogP3 value of 1-Oxoadenosine is -1.5.