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bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate structure

CAS No:
86688-51-9
Formula:
C36H32Cl2N8O9
Chemical Name:
bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Synonyms:
86688-51-9;NSC376713;CHEMBL287406;DTXSID50321479;NSC-376713;Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate;L-Glutamic acid,4-diamino-6-pteridinyl)methyl] methylamino]benzoyl]-, bis[(6-chloro-1,3-benzodioxol-5-yl) methyl] ester

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bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Basic Attributes

Molecular Weight：

791.6 g/mol

Exact Mass：

790.1669300 g/mol

NSC Number：

376713

DSSTox ID：

DTXSID50321479

Characteristics

PSA：

226 Å²

Computed Properties

Molecular Weight:791.6
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:15
Exact Mass:790.1669300
Monoisotopic Mass:790.1669300
Topological Polar Surface Area:226
Heavy Atom Count:55
Complexity:1320
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Basic Attributes
Characteristics
Computed Properties
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