DTXSID30864930

6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

CAS: 27761-75-7

Molecular Formula	`C20H19N3O11S3`
Molecular Weight	573.6 g/mol
LogP	0.7
Topological Polar Surface Area	251.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	573.0182
Heavy Atoms	37
Complexity	1150.0

Chemical Identifiers

CAS Number	27761-75-7
SMILES	`CC(=O)NC1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)O`
InChIKey	`INOIOAWTVPHTCJ-UHFFFAOYSA-N`

📖 Product Overview

DTXSID30864930 (CAS: 27761-75-7) is a chemical compound with molecular formula C20H19N3O11S3 and molecular weight 573.6 g/mol. Its IUPAC systematic name is 6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid. LogP 0.7 Topological Polar Surface Area 251.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 13 Rotatable Bonds 9 Exact Mass 573.0182 Heavy Atoms 37 Complexity 1150.0 InChI Key: INOIOAWTVPHTCJ-UHFFFAOYSA-N. SMILES: CC(=O)NC1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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