dicalcium;disodium;(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
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![dicalcium;disodium;(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/095ef93ce41f446dba879aca30d592b4.png "dicalcium;disodium;(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate")
dicalcium;disodium;(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
structure -
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CAS No:
100333-50-4
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Formula:
C25H41Ca2N3Na2O24S
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Chemical Name:
dicalcium;disodium;(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
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Synonyms:
rodilemid;Rodilemid;100333-50-4;DTXSID30905392;Calciate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')-, (2S-trans)-;Calcium sodium hexonate 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate--cysteine (2/2/2/1/1)
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CAS No:
dicalcium;disodium;(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate Basic Attributes
925.8 g/mol
925.0847906 g/mol
Computed Properties
Molecular Weight:925.8
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:28
Rotatable Bond Count:17
Exact Mass:925.0847906
Monoisotopic Mass:925.0847906
Topological Polar Surface Area:514
Heavy Atom Count:57
Complexity:534
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:8
Compound Is Canonicalized:Yes
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