1,4-dihydroxy-5,8-bis[2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione


Chemical Name: 1,4-dihydroxy-5,8-bis[2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione
CAS Number: 65271-80-9
Product Number: AG00IBH9(AGN-PC-07A243)
Synonyms:
MDL No: MFCD00242942
Molecular Formula: C22H28N4O6
Molecular Weight: 444.4809

Identification/Properties


Computed Properties
Molecular Weight:
444.488g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
12
Exact Mass:
444.201g/mol
Monoisotopic Mass:
444.201g/mol
Topological Polar Surface Area:
163A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
571
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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