[2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate

CAS: 4568-45-0

Molecular Formula	`C29H18N2O17S4`
Molecular Weight	794.7 g/mol
LogP	3.7
Topological Polar Surface Area	340.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	19
Rotatable Bonds	9
Exact Mass	793.94885
Heavy Atoms	52
Complexity	1760.0

Chemical Identifiers

CAS Number	4568-45-0
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`
InChIKey	`QZXVIVPPIIRMCP-UHFFFAOYSA-N`

📖 Product Overview

[2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate (CAS: 4568-45-0) is a chemical compound with molecular formula C29H18N2O17S4 and molecular weight 794.7 g/mol. Its IUPAC systematic name is [2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate. LogP 3.7 Topological Polar Surface Area 340.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 19 Rotatable Bonds 9 Exact Mass 793.94885 Heavy Atoms 52 Complexity 1760.0 InChI Key: QZXVIVPPIIRMCP-UHFFFAOYSA-N. 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.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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