20-dimethyl-7-thiaprostaglandin E1 methyl ester
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20-dimethyl-7-thiaprostaglandin E1 methyl ester
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CAS No:
111037-12-8
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Formula:
C23H38O5S
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Chemical Name:
20-dimethyl-7-thiaprostaglandin E1 methyl ester
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Synonyms:
20-dimethyl-7-thiaprostaglandin E1 methyl ester;DMT-PGE1;methyl 6-[(1R,2S,3R)-2-[(E)-5-cyclohexyl-3-hydroxypent-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylhexanoate;Hexanoic acid, 6-((2-(5-cyclohexyl-3-hydroxy-1-pentenyl)-3-hydroxy-5-oxocyclopentyl)thio)-, methyl ester, (1R-(1alpha,2beta(1E,3S*),3alpha))-
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CAS No:
Computed Properties
Molecular Weight:426.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:426.24399548
Monoisotopic Mass:426.24399548
Topological Polar Surface Area:109
Heavy Atom Count:29
Complexity:529
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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20-dimethyl-7-thiaprostaglandin E1 methyl ester
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