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Adenosine, 5'-sulfaMate

CAS No.:
25030-31-3
Catalog Number:
AG00C2D1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C2D1
Chemical Name:
Adenosine, 5'-sulfaMate
CAS Number:
25030-31-3
IUPAC Name:
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
InChI:
InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)
InChI Key:
GNZLUJQJDPRUTD-UHFFFAOYSA-N
NSC Number:
133114
Properties
Complexity:
530  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.07g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
346.318g/mol
Monoisotopic Mass:
346.07g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3  
Literature
Title Journal
New parasite inhibitors encompassing novel conformationally-locked 5'-acyl sulfamoyl adenosines. Organic & biomolecular chemistry 20120814
Structural snapshots of the KMSKS loop rearrangement for amino acid activation by bacterial tyrosyl-tRNA synthetase. Journal of molecular biology 20050211
Induced fit and kinetic mechanism of adenylation catalyzed by Escherichia coli threonyl-tRNA synthetase. Biochemistry 20031230
Properties