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102185-44-4

102185-44-4 | Inosine 5'-(trihydrogen diphosphate), 8-bromo-, disodium salt (9CI)

CAS No: 102185-44-4 Catalog No: AG0006U5 MDL No:

Product Description

Catalog Number:
AG0006U5
Chemical Name:
Inosine 5'-(trihydrogen diphosphate), 8-bromo-, disodium salt (9CI)
CAS Number:
102185-44-4
IUPAC Name:
trisodium;[[(2R,3S,4R,5R)-5-(8-bromo-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
InChI:
InChI=1S/C10H13BrN4O11P2.3Na/c11-10-14-4-7(12-2-13-8(4)18)15(10)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,12,13,18)(H2,19,20,21);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1
InChI Key:
RDUUIWRDDTZJRW-CYCLDIHTSA-K

Properties

Complexity:
731  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
571.87g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
573.028g/mol
Monoisotopic Mass:
571.87g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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