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50695-15-3 | 3-azidopyridine-adenine dinucleotide
CAS No: 50695-15-3 Catalog No: AG00DOZ3 MDL No:
Product Description
Catalog Number:
AG00DOZ3
Chemical Name:
3-azidopyridine-adenine dinucleotide
CAS Number:
50695-15-3
IUPAC Name:
(2R,3R,4S,5R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(3-azidopyridin-1-ium-1-yl)-5-(hydroxymethyl)oxolan-3-olate
InChI:
InChI=1S/C20H25N9O13P2/c21-17-12-18(24-7-23-17)29(8-25-12)20-14(32)13(31)11(40-20)6-38-43(34,35)42-44(36,37)41-16-10(5-30)39-19(15(16)33)28-3-1-2-9(4-28)26-27-22/h1-4,7-8,10-11,13-16,19-20,30-32H,5-6H2,(H,34,35)(H,36,37)(H2,21,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI Key:
MZCCDFKWCAZTHE-HISDBWNOSA-N
Properties
Complexity:
1160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
661.105g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
661.418g/mol
Monoisotopic Mass:
661.105g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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