Dhaq diacetate

2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-(2-hydroxyethyl)azanium diacetate

CAS: 70711-41-0

Molecular Formula	`C26H36N4O10`
Molecular Weight	564.6 g/mol
Topological Polar Surface Area	253.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	12
Exact Mass	564.24316
Heavy Atoms	40
Complexity	597.0

Chemical Identifiers

CAS Number	70711-41-0
SMILES	`CC(=O)[O-].CC(=O)[O-].C1=CC(=C2C(=C1NCC[NH2+]CCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCC[NH2+]CCO`
InChIKey	`ZWCKUVMZBKQQRG-UHFFFAOYSA-N`

📖 Product Overview

Dhaq diacetate (CAS: 70711-41-0) is a chemical compound with molecular formula C26H36N4O10 and molecular weight 564.6 g/mol. Its IUPAC systematic name is 2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-(2-hydroxyethyl)azanium diacetate. Topological Polar Surface Area 253.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 12 Rotatable Bonds 12 Exact Mass 564.24316 Heavy Atoms 40 Complexity 597.0 InChI Key: ZWCKUVMZBKQQRG-UHFFFAOYSA-N. SMILES: CC(=O)[O-].CC(=O)[O-].C1=CC(=C2C(=C1NCC[NH2+]CCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCC[NH2+]CCO.

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