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23600-16-0

23600-16-0 | Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI)

CAS No: 23600-16-0 Catalog No: AG002NUY MDL No:

Product Description

Catalog Number:
AG002NUY
Chemical Name:
Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI)
CAS Number:
23600-16-0
IUPAC Name:
[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
InChI:
InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
InChI Key:
KVVVTFSHHQCHNZ-UUOKFMHZSA-N

Properties

Complexity:
673  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
504.94g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
506.099g/mol
Monoisotopic Mass:
504.94g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
233A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6  

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