2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrate,[4S-(4a,4aa,5a,5aa,6a,12aa)]-


Chemical Name: 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrate,[4S-(4a,4aa,5a,5aa,6a,12aa)]-
CAS Number: 17086-28-1
Product Number: AG00HZI3(AGN-PC-0Q9TBK)
Synonyms:
MDL No:
Molecular Formula: C22H26N2O9
Molecular Weight: 462.4498

Identification/Properties


Computed Properties
Molecular Weight:
462.455g/mol
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
2
Exact Mass:
462.164g/mol
Monoisotopic Mass:
462.164g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
956
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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