(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
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![(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/903d964ce2dc4cbfb45e4762ebda393d.png "(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid")
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
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CAS No:
117707-51-4
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Formula:
C11H19N2O5PS
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Chemical Name:
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
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Synonyms:
Thiopilocarpine;ENS-163 phosphate;UNII-HZ0DY0JLD8;HZ0DY0JLD8;117707-51-4;ENS-213163;Thiopilocarpine phosphate;SDZ-ENS-163;SCHEMBL10384531;DTXSID90922525;SDZ-163;HY-U00038;CS-6571;(3S,4R)-3-Ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrothiophen-2(3H)-one phosphate;Phosphoric acid--3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]thiolan-2-one (1/1);(+)-(3s,cis)-3-ethyldihydro-4-[(1-methyl-1h-imidazol-5-yl)methyl-2(3h)-thiophenonedihydrogenphosphate]
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CAS No:
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid Basic Attributes
322.32 g/mol
322.07522988 g/mol
HZ0DY0JLD8
Computed Properties
Molecular Weight:322.32
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:322.07522988
Monoisotopic Mass:322.07522988
Topological Polar Surface Area:138
Heavy Atom Count:20
Complexity:297
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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