 Home > Encyclopedia > (8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

(8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

(8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol structure

CAS No:
70761-64-7
Formula:
C20H23IO2
Chemical Name:
(8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Synonyms:
17 alpha-iodoethynylestradiol;I-EE2;70761-64-7;17alpha-Iodoethynylestradiol;I-EE2;DTXSID00991020;21-Iodo-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol;(17alpha)-21-Iodo-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol

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(8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Basic Attributes

Molecular Weight：

422.3 g/mol

Exact Mass：

422.07428 g/mol

Characteristics

PSA：

40.5 Å²

Drug Information

MeSH Entry Terms：

17 alpha-iodoethynylestradiol

Computed Properties

Molecular Weight:422.3
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:422.07428
Monoisotopic Mass:422.07428
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Complexity:548
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8R,9S,13S,14S)-17-(2-iodoethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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