2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid
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![2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/78bfe972cbb04700bc23d679e176370c.png "2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid")
2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid
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CAS No:
111606-88-3
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Formula:
C11H22Cl2N3O4PS
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Chemical Name:
2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid
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Synonyms:
NSC 612567;NSC-612567;perhydrothiazinylethyl N-mustard phosphoramide ester;111606-88-3;NSC 612567;NSC-612567;ACMC-20cod4;2-[2-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)ethyl]-1,3-thiazinane-4-carboxylic acid;Perhydrothiazinylethyl N-mustard phosphoramide ester;DTXSID50912240;2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid;2H-1,3-Thiazine-4-carboxylicacid, 2-[2-[[amino[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]tetrahydro-;A805308;2-[2-[azanyl-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid;2H-1,3-Thiazine-4-carboxylic acid, 2-(2-((amino(bis(2-chloroethyl)amino)phosphinyl)oxy)ethyl)tetrahydro-
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CAS No:
2-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethyl]-1,3-thiazinane-4-carboxylic acid Basic Attributes
394.3 g/mol
393.0445698 g/mol
Computed Properties
Molecular Weight:394.3
XLogP3:-1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:393.0445698
Monoisotopic Mass:393.0445698
Topological Polar Surface Area:130
Heavy Atom Count:22
Complexity:402
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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