Home Other Building Blocks 17BETA-ESTRADIOL-2,4,16,16,17-D5

17BETA-ESTRADIOL-2,4,16,16,17-D5

CAS No.:
221093-45-4
Catalog Number:
AG00BEIN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BEIN
Chemical Name:
17BETA-ESTRADIOL-2,4,16,16,17-D5
CAS Number:
221093-45-4
MDL Number:
MFCD01075456
IUPAC Name:
(8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D
InChI Key:
VOXZDWNPVJITMN-MOKSCAJFSA-N
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
277.209g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
5  
Molecular Weight:
277.419g/mol
Monoisotopic Mass:
277.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties