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ESTRONE-16,16-D2

CAS No.:
56588-58-0
Catalog Number:
AG00EBTW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EBTW
Chemical Name:
ESTRONE-16,16-D2
CAS Number:
56588-58-0
MDL Number:
MFCD01074229
IUPAC Name:
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2
InChI Key:
DNXHEGUUPJUMQT-XIMAIENTSA-N
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.175g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
2  
Molecular Weight:
272.384g/mol
Monoisotopic Mass:
272.175g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties