2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid
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![2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/39b1a7db162349ca9ada0525fa2fd0b0.png "2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid")
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid
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CAS No:
90081-15-5
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Formula:
C19H22N8O6S
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Chemical Name:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid
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Synonyms:
CHEMBL27894;90081-15-5;NSC696558;DTXSID401009144;BDBM50023711;NSC-696558;2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-sulfobutanoic acid;NCI60_034431;N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-homocysteic acid;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-sulfo-butyric acid;2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzamido)-4-sulfobutanoic acid
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CAS No:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid Basic Attributes
490.5 g/mol
490.13830162 g/mol
696558
Computed Properties
Molecular Weight:490.5
XLogP3:-2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:490.13830162
Monoisotopic Mass:490.13830162
Topological Polar Surface Area:236
Heavy Atom Count:34
Complexity:818
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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