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71187-05-8 | 3-iodopyridine-adenine dinucleotide phosphate
CAS No: 71187-05-8 Catalog No: AG00FT5L MDL No:
Product Description
Catalog Number:
AG00FT5L
Chemical Name:
3-iodopyridine-adenine dinucleotide phosphate
CAS Number:
71187-05-8
IUPAC Name:
(2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxyoxolan-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate
InChI:
InChI=1S/C20H26IN6O16P3/c21-9-2-1-3-26(4-9)19-14(29)13(28)10(40-19)5-38-15-11(6-39-46(36,37)43-45(33,34)35)41-20(16(15)42-44(30,31)32)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28H,5-6H2,(H,36,37)(H2,22,23,24)(H2,30,31,32)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI Key:
CQFJPMRGOPHIEG-HISDBWNOSA-N
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
825.966g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
826.28g/mol
Monoisotopic Mass:
825.966g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
325A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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