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56541-70-9 | 3-iodopyridine-adenine dinucleotide
CAS No: 56541-70-9 Catalog No: AG00EZ4I MDL No:
Product Description
Catalog Number:
AG00EZ4I
Chemical Name:
3-iodopyridine-adenine dinucleotide
CAS Number:
56541-70-9
IUPAC Name:
(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate
InChI:
InChI=1S/C20H25IN6O13P2/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(38-19)5-36-41(32,33)40-42(34,35)37-6-11-14(29)16(31)20(39-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-29,31H,5-6H2,(H,32,33)(H,34,35)(H2,22,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI Key:
JCBHIKMAWHWWIU-HISDBWNOSA-N
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
746g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
746.301g/mol
Monoisotopic Mass:
746g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
278A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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