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123303-98-0 | 17-(6'-iodohex-1'-ynyl)-19-nortestosterone
CAS No: 123303-98-0 Catalog No: AG00AI9B MDL No:
Product Description
Catalog Number:
AG00AI9B
Chemical Name:
17-(6'-iodohex-1'-ynyl)-19-nortestosterone
CAS Number:
123303-98-0
IUPAC Name:
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(6-(125I)iodanylhex-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C24H33IO2/c1-23-13-10-20-19-9-7-18(26)16-17(19)6-8-21(20)22(23)11-14-24(23,27)12-4-2-3-5-15-25/h16,19-22,27H,2-3,5-11,13-15H2,1H3/t19-,20+,21+,22-,23-,24+/m0/s1/i25-2
InChI Key:
ATOABPRAPSWSDS-PMRTWVQRSA-N
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
478.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
1
Molecular Weight:
478.431g/mol
Monoisotopic Mass:
478.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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