CID9601082

8-[[3-[[3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridinylidene]hydrazinyl]benzoyl]amino]-4-methylbenzoyl]amino]naphthalene-1,3,5-trisulfonic acid

Also Known As: 8-[[3-[[3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzoyl]amino]-4-methylbenzoyl]amino]naphthalene-1,3,5-trisulfonic acid|8-(3-{3-[(2E)-2-{4-Formyl-6-methyl-5-oxo-3-[(phosphonooxy)methyl]pyridin-2(5H)-ylidene}hydrazin-1-yl]benzamido}-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid|8-(3-{3-[(2E)-2-{4-Formyl-6-methyl-5-oxo-3-[(phosphonooxy)methyl]pyridin-2(5H)-ylidene}hydrazinyl]benzamido}-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid

Molecular Formula	C33H28N5O17PS3
Molecular Weight	893.038 g/mol
LogP	2.76672
Topological Polar Surface Area	358.96 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	13
Exact Mass	893.038
Monoisotopic Mass	893.038
Heavy Atoms	59
Complexity	2994.9224

Chemical Identifiers

CAS Number	19-15-8
SMILES	CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N/N=C/5\C(=C(C(=O)C(=N5)C)C=O)COP(=O)(O)O