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ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate structure

CAS No:
86669-33-2
Formula:
C28H38N8O5
Chemical Name:
ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Synonyms:
DITERT-BUTYL 2-[[4-[(2,4-DIAMINOPTERIDIN-6-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOATE; methotrexate di-t-butyl ester; Methotrexate dibutyl esters;

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ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Basic Attributes

Molecular Weight：

566.65200

Exact Mass：

566.29651634 g/mol

NSC Number：

251989

DSSTox ID：

DTXSID40330398

Characteristics

PSA：

188.54000

XLogP3：

4.33590

Density：

1.271g/cm3

Refractive Index：

1.619

Computed Properties

Molecular Weight:566.7
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:566.29651634
Monoisotopic Mass:566.29651634
Topological Polar Surface Area:189
Heavy Atom Count:41
Complexity:899
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Basic Attributes
Characteristics
Computed Properties
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