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432545-60-3

432545-60-3 structural image
Product Name: METHOTREXATE-METHYL-D3, DIMETHYL ESTER
Formula: C22H26N8O5
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COMPUTED DESCRIPTORS

Molecular Weight 485.5 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 11
Exact Mass 485.22144620 g/mol
Monoisotopic Mass 485.22144620 g/mol
Topological Polar Surface Area 189 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 735
Isotope Atom Count 3
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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