5-O-(2-acetyloxy-2-methylpropyl) 3-O-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate


Chemical Name: 5-O-(2-acetyloxy-2-methylpropyl) 3-O-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number: 106666-00-6
Product Number: AG008W1Q(AGN-PC-00NLQW)
Synonyms:
MDL No:
Molecular Formula: C22H26N2O8
Molecular Weight: 446.45044

Identification/Properties


Computed Properties
Molecular Weight:
446.456g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
9
Exact Mass:
446.169g/mol
Monoisotopic Mass:
446.169g/mol
Topological Polar Surface Area:
137A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
853
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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