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Home > Encyclopedia > (7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol

(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol

(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol structure

(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol 

structure
  • CAS No:

    153004-31-0

  • Formula:

    C32H47F5O2S

  • Chemical Name:

    (7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol

  • Synonyms:

    (7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;(7α,17β)-7-{[9-(4,4,5,5,5-Pentafluoropentyl)thio]nonyl}eatra-1,3,5(10)-triene-3,17-diol;(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)Thio]Nonyl]-Estra-1,3,5(10)-Triene-3,1;(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13;(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol;(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(4-(4,4,5,5,5-pentafluoropentylthio)butyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;Estra-1,3,5(10)-triene-3,17-diol,7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-,(7a,17b)-;(7R,8R,9S,13S,14S,17S)-13-Methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl) -7,8,9,11,12,13,1

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol Basic Attributes

590.77

590.321716

DTXSID50462159

Characteristics

65.8

10.06

1.159

622.1±55.0 °C(Predicted)

330.0±31.5 °C

1.513

Safety Information

P201, P202, P260, P263, P264, P270, P273, P281, P308+P313, P391, P405, P501

H360

|Danger|H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]|P201, P202, P260, P263, P264, P270, P273, P281, P308+P313, P391, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:590.8
XLogP3:10.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:590.32169272
Monoisotopic Mass:590.32169272
Topological Polar Surface Area:65.8
Heavy Atom Count:40
Complexity:779
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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