(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid
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![(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b7c5121e45f547b6985ce6997bbaff8e.png "(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid")
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid
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CAS No:
143955-02-6
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Formula:
C20H20F2N8O5
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Chemical Name:
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid
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Synonyms:
NSC136736;UNII-8K171M5VWJ;8K171M5VWJ;143955-02-6;D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)(methyl)amino)-3,5-difluorobenzoyl)-;NSC 136736;D-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl][methyl]amino]-3,5-difluorobenzoyl]-;DTXSID70162583;ZINC8628635;3',5'-Difluoromethotrexate, (R)-;UNII-ESI69SZS2O component WLGUDGOIFDAKHG-GFCCVEGCSA-N;N-[3,5-Difluoro-4-[[(2,4-diaminopteridin-6-yl)methyl]methylamino]benzoyl]-D-glutamic acid;(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3,5-difluoro-benzoyl]amino]pentanedioic acid
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CAS No:
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-difluorobenzoyl]amino]pentanedioic acid Basic Attributes
490.4 g/mol
490.15247209 g/mol
8K171M5VWJ
DTXSID70162583
Computed Properties
Molecular Weight:490.4
XLogP3:-1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:490.15247209
Monoisotopic Mass:490.15247209
Topological Polar Surface Area:211
Heavy Atom Count:35
Complexity:770
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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