[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate
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![[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ccb38b8b56b24e709114a320fb28f2d8.png "[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate")
[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate
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CAS No:
56397-06-9
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Formula:
C23H34NO6P
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Chemical Name:
[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate
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Synonyms:
56397-06-9;Estradiol-3N-diethylcarbamate-17beta phosphate;DTXSID50971837;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(diethylcarbamate) 17-(dihydrogen phosphate);17-(Phosphonooxy)estra-1(10),2,4-trien-3-yl diethylcarbamate
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CAS No:
[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate Basic Attributes
451.5 g/mol
451.21237480 g/mol
Computed Properties
Molecular Weight:451.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:451.21237480
Monoisotopic Mass:451.21237480
Topological Polar Surface Area:96.3
Heavy Atom Count:31
Complexity:708
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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