Home Other Building Blocks 4-HYDROXY-17BETA-ESTRADIOL-1,2,16,16,17-D5

4-HYDROXY-17BETA-ESTRADIOL-1,2,16,16,17-D5

CAS No.:
221093-38-5
Catalog Number:
AG00BEIZ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BEIZ
Chemical Name:
4-HYDROXY-17BETA-ESTRADIOL-1,2,16,16,17-D5
CAS Number:
221093-38-5
MDL Number:
MFCD01861641
IUPAC Name:
(8R,9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,4,17-triol
InChI:
InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1/i7D2,16D
InChI Key:
QOZFCKXEVSGWGS-WPSCEDOOSA-N
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
291.191g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
3  
Molecular Weight:
291.405g/mol
Monoisotopic Mass:
291.191g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties