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Home > Nitro Compounds > 71732-41-7
71732-41-7 | Adenosine, 5'-S-(4-nitrophenyl)-5'-thio-
CAS No: 71732-41-7 Catalog No: AG005FMK MDL No:
Product Description
Catalog Number:
AG005FMK
Chemical Name:
Adenosine, 5'-S-(4-nitrophenyl)-5'-thio-
CAS Number:
71732-41-7
Molecular Formula:
C16H16N6O5S
Molecular Weight:
404.4004
IUPAC Name:
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(4-nitrophenyl)sulfanylmethyl]oxolane-3,4-diol
InChI:
InChI=1S/C16H16N6O5S/c17-14-11-15(19-6-18-14)21(7-20-11)16-13(24)12(23)10(27-16)5-28-9-3-1-8(2-4-9)22(25)26/h1-4,6-7,10,12-13,16,23-24H,5H2,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
InChI Key:
FBKPPTASIYMHFC-XNIJJKJLSA-N
SMILES:
O[C@@H]1[C@@H](CSc2ccc(cc2)[N+](=O)[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
404.09g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
404.401g/mol
Monoisotopic Mass:
404.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Characterization of recombinant Eschericha coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase: analysis of enzymatic activity and substrate specificity. | Biochemical and biophysical research communications 19961121 |
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