2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bb94a9ea39e1403f853589115c308fe3.png "2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid")
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
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CAS No:
76807-63-1
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Formula:
C20H21N7O5
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Chemical Name:
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
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Synonyms:
8-Deazaaminopterin;
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CAS No:
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Basic Attributes
439.42500
439.16041680 g/mol
344243
DTXSID80319364
Computed Properties
Molecular Weight:439.4
XLogP3:0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:439.16041680
Monoisotopic Mass:439.16041680
Topological Polar Surface Area:206
Heavy Atom Count:32
Complexity:673
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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