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70911-43-2 | 2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonic acid
CAS No: 70911-43-2 Catalog No: AG00FL1E MDL No:
Product Description
Catalog Number:
AG00FL1E
Chemical Name:
2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonic acid
CAS Number:
70911-43-2
IUPAC Name:
2-[[5-carbamoyl-6-hydroxy-4-methyl-2-oxo-1-[2-(4-sulfophenyl)ethyl]pyridin-3-yl]diazenyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C27H25N6O12PS2/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39/h2-10,13-14,35H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45)
InChI Key:
NTGXZLSTWOVPFB-UHFFFAOYSA-N
EC Number:
275-016-6
Properties
Complexity:
1640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
720.071g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
720.621g/mol
Monoisotopic Mass:
720.071g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
316A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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