2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate)

Base Information

• Chemical Name: 2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate)
• CAS No.: 4568-45-0
• Molecular Formula: C29H18 N2 O17 S4
• Molecular Weight: 794.71642
• European Community (EC) Number: 224-946-0
• DSSTox Substance ID: DTXSID20196590
• Nikkaji Number: J297.823G
• Wikidata: Q83069621
• Mol file: 4568-45-0.mol

Synonyms:EINECS 224-946-0;4568-45-0;2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate);2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate);Anthra(2,3-d)oxazole-5,10-diol, 2-(1-amino-9,10-bis(sulfooxy)-2-anthracenyl)-, bis(hydrogen sulfate) (ester);Anthra[2,3-d]oxazole-5,10-diol, 2-[1-amino-9,10-bis(sulfooxy)-2-anthracenyl]-, bis(hydrogen sulfate) (ester);DTXSID20196590;C29H18N2O17S4;C29-H18-N2-O17-S4;[1-Amino-2-(5,10-disulfooxynaphtho[3,2-f][1,3]benzoxazol-2-yl)-10-sulfooxyanthracen-9-yl]hydrogen sulfate;2-[1-Amino-9,10-bis(sulfooxy)anthracen-2-yl]anthra[2,3-d]oxazole-5,10-diylbis(hydrogen sulfate);Anthra[2,3-d]oxazole-5,10-diol, 2-(1-amino-9,10-dihydroxy-2-anthryl)-, tetrakis(hydrogen sulfate) (ester)

Chemical Property of 2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate)

Chemical Property:

• PSA: 339.97000
• Density: 1.949g/cm³
• LogP: 9.32060
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 9
• Exact Mass: 793.94883180
• Heavy Atom Count: 52
• Complexity: 1760

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC(=C(C3=C2OS(=O)(=O)O)N)C4=NC5=CC6=C(C7=CC=CC=C7C(=C6C=C5O4)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O