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85352-87-0 | Adenosine, 8-[(4-chlorophenyl)thio]-
CAS No: 85352-87-0 Catalog No: AG004L79 MDL No:
Product Description
Catalog Number:
AG004L79
Chemical Name:
Adenosine, 8-[(4-chlorophenyl)thio]-
CAS Number:
85352-87-0
Molecular Formula:
C16H16ClN5O4S
Molecular Weight:
409.8473
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C16H16ClN5O4S/c17-7-1-3-8(4-2-7)27-16-21-10-13(18)19-6-20-14(10)22(16)15-12(25)11(24)9(5-23)26-15/h1-4,6,9,11-12,15,23-25H,5H2,(H2,18,19,20)/t9-,11-,12-,15-/m1/s1
InChI Key:
NFZMOKLQFVMWGI-SDBHATRESA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(Sc2ccc(cc2)Cl)nc2c1ncnc2N
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
409.061g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
409.845g/mol
Monoisotopic Mass:
409.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| In rat hepatocytes glucagon increases mammalian target of rapamycin phosphorylation on serine 2448 but antagonizes the phosphorylation of its downstream targets induced by insulin and amino acids. | The Journal of biological chemistry 20041008 |
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