2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid
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![2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5b91f14fb84d4af68f5e03c0cce59186.png "2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid")
2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid
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CAS No:
80402-33-1
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Formula:
C22H22ClN7O7
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Chemical Name:
2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid
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Synonyms:
10-(3-chloropropionyl)folic acid;
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CAS No:
2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(3-chloropropanoyl)amino]benzoyl]amino]pentanedioic acid Basic Attributes
531.90600
531.1269238
311466
DTXSID30317138
Computed Properties
Molecular Weight:531.9
XLogP3:-1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:531.1269238
Monoisotopic Mass:531.1269238
Topological Polar Surface Area:217
Heavy Atom Count:37
Complexity:925
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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