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71032-99-0 | 5',5'''-[ethylenebis(p-phenyleneazo)]bis[1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium] dilactate
CAS No: 71032-99-0 Catalog No: AG00FOE7 MDL No:
Product Description
Catalog Number:
AG00FOE7
Chemical Name:
5',5'''-[ethylenebis(p-phenyleneazo)]bis[1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium] dilactate
CAS Number:
71032-99-0
IUPAC Name:
6-hydroxy-5-[3-[[4-[2-[4-[[1-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)pyridin-1-ium-3-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]pyridin-1-ium-1-yl]-4-methyl-1H-pyridin-2-one;2-hydroxypropanoate
InChI:
InChI=1S/C36H30N8O4.2C3H6O3/c1-23-19-31(45)37-35(47)33(23)43-17-3-5-29(21-43)41-39-27-13-9-25(10-14-27)7-8-26-11-15-28(16-12-26)40-42-30-6-4-18-44(22-30)34-24(2)20-32(46)38-36(34)48;2*1-2(4)3(5)6/h3-6,9-22H,7-8H2,1-2H3,(H2-2,37,38,45,46,47,48);2*2,4H,1H3,(H,5,6)
InChI Key:
FQRBVKUFGAWGFH-UHFFFAOYSA-N
EC Number:
275-139-5
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
818.302g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
818.844g/mol
Monoisotopic Mass:
818.302g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
277A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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