NSC45617

6-acetamido-4-hydroxy-3-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Also Known As: Naphthalenedisulfonic acid der.|6-(Acetylamino)-4-hydroxy-3-((E)-(4-(((4-((E)-(4-sulfophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)naphthalene-2,7-disulfonic acid|6-(Acetylamino)-4-hydroxy-3-((E)-{4-[({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}amino)carbonyl]phenyl}diazenyl)naphthalene-2,7-disulfonic acid|6-acetamido-4-hydroxy-3-[(E)-[4-[[4-[(E)-(4-sulfophenyl)azo]phenyl]carbamoyl]phenyl]azo]naphthalene-2,7-disulfonic acid

Molecular Formula	C31H24N6O12S3
Molecular Weight	768.06146 g/mol
LogP	3.2
Topological Polar Surface Area	316.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	10
Exact Mass	768.06146
Monoisotopic Mass	768.06146
Heavy Atoms	52
Complexity	1650.0

Chemical Identifiers

CAS Number	6330-96-7
SMILES	CC(=O)NC1=C(C=C2C=C(C(=C(C2=C1)O)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChIKey	DVROPABFANSCGB-UHFFFAOYSA-N