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3',5'-dibromoaminopterin

3',5'-dibromoaminopterin structure

CAS No:
1948-22-7
Formula:
C19H18Br2N8O5
Chemical Name:
3',5'-dibromoaminopterin
Synonyms:
3",5"-dibromoaminopterin;DTXSID30941235;A816123;L-Glutamic acid, N-(3,5-dibromo-4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-;(2S)-2-[[[3,5-dibromo-4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3,5-bis(bromanyl)phenyl]carbonylamino]pentanedioic acid;N-[(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl]amino}-3,5-dibromophenyl)(hydroxy)methylidene]glutamic acid
Categories:
Dyes and Pigments > Pigment

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3',5'-dibromoaminopterin Basic Attributes

Molecular Weight：

598.20482

Exact Mass：

597.975

Characteristics

PSA：

219

XLogP3：

-0.1

Drug Information

MeSH Entry Terms：

3',5'-dibromoaminopterin

Computed Properties

Molecular Weight:598.2
XLogP3:-0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:597.97464
Monoisotopic Mass:595.97669
Topological Polar Surface Area:219
Heavy Atom Count:34
Complexity:740
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes