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

Base Information

• Chemical Name: 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
• CAS No.: 19-15-8
• Molecular Formula: C33H28N5O17PS3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70430592
• Mol file: 19-15-8.mol

Synonyms:19-15-8;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;DTXSID70430592;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

Chemical Property of 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

Chemical Property:

• PSA: 400.89000
• Density: 1.783g/cm³
• LogP: 6.28570
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 13
• Exact Mass: 893.03799496
• Heavy Atom Count: 59
• Complexity: 2160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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)NN=C5C(=C(C(=O)C(=N5)C)C=O)COP(=O)(O)O
• Isomeric 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