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102029-95-8,MFCD00057011
Catalog No.:AA0006BV
102029-95-8 | 5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2)
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1mg
≥95%
1 week  
$107.00   $75.00
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5mg
≥95%
1 week  
$233.00   $163.00
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10mg
≥95%
1 week  
$385.00   $270.00
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25mg
≥95%
1 week  
$747.00   $523.00
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Technical Information
Catalog Number:
AA0006BV
Chemical Name:
5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2)
CAS Number:
102029-95-8
Molecular Formula:
C10H14N5NaO10PS
Molecular Weight:
450.2742
MDL Number:
MFCD00057011
IUPAC Name:
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfo hydrogen phosphate;sodium
InChI:
InChI=1S/C10H14N5O10PS.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22);
InChI Key:
KVGKFGUVHSIJFZ-UHFFFAOYSA-N
SMILES:
OC1C(COP(=O)(OS(=O)(=O)O)O)OC(C1O)n1cnc2c1ncnc2N.[Na]
Properties
Computed Properties
 
Complexity:
692  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.01g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
450.271g/mol
Monoisotopic Mass:
450.01g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0

Synonyms
 
Adenosine 5'-phosphosulfate sodium salt 
102029-95-8 
J-000548 
Adenosine 5 inverted exclamation marka-phosphosulfate sodium salt 
5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2) 
Adenosine 5/'-phosphosulfate sodium salt 
APS 
SCHEMBL20266318 
CTK8F1005 
DTXSID20585066 
PUBCHEM_16218925 
KS-0000199A 
RT-011198 
FT-0730087 
Adenosine 5'-phosphosulfate sodium salt, >=85% 
Literature
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