(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
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![(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-fluorobenzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9ab29e7ec868429eafbe9e1d7d5458c8.png "(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-fluorobenzoyl]amino]pentanedioic acid")
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
structure -
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CAS No:
143955-01-5
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Formula:
C20H21FN8O5
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Chemical Name:
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
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Synonyms:
3'-Fluor-methotrexat;
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CAS No:
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3-fluorobenzoyl]amino]pentanedioic acid Basic Attributes
472.43000
472.16189396 g/mol
DTXSID10162582
Computed Properties
Molecular Weight:472.4
XLogP3:-1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:472.16189396
Monoisotopic Mass:472.16189396
Topological Polar Surface Area:211
Heavy Atom Count:34
Complexity:748
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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