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71995-65-8 | p-Toluenesulfonyloxyandrost-4-ene-3,17-dione-19-d2
CAS No: 71995-65-8 Catalog No: AG003U17 MDL No:
Product Description
Catalog Number:
AG003U17
Chemical Name:
p-Toluenesulfonyloxyandrost-4-ene-3,17-dione-19-d2
CAS Number:
71995-65-8
IUPAC Name:
[dideuterio-[(8R,9S,10S,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C26H32O5S/c1-17-3-6-20(7-4-17)32(29,30)31-16-26-14-11-19(27)15-18(26)5-8-21-22-9-10-24(28)25(22,2)13-12-23(21)26/h3-4,6-7,15,21-23H,5,8-14,16H2,1-2H3/t21-,22-,23-,25-,26+/m0/s1/i16D2
InChI Key:
JSEONXJKSHDLSE-COUFQQIYSA-N
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
458.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2
Molecular Weight:
458.609g/mol
Monoisotopic Mass:
458.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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