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129163-98-0 | 17-(2-iodovinyl)dihydrotestosterone
CAS No: 129163-98-0 Catalog No: AG00AIA4 MDL No:
Product Description
Catalog Number:
AG00AIA4
Chemical Name:
17-(2-iodovinyl)dihydrotestosterone
CAS Number:
129163-98-0
IUPAC Name:
(5S,8R,9S,10S,13S,14S)-17-hydroxy-17-[(E)-2-iodoethenyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H31IO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h11-12,14,16-18,24H,3-10,13H2,1-2H3/b12-11+/t14-,16+,17-,18-,19-,20-,21?/m0/s1
InChI Key:
DWUIOIDQYOFBEC-RELFHSLBSA-N
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
442.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.381g/mol
Monoisotopic Mass:
442.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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