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

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

CAS No.:
358731-34-7
Catalog Number:
AG00C5G7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C5G7
Chemical Name:
2-METHOXY-17BETA-ESTRADIOL-1,4,16,16,17-D5
CAS Number:
358731-34-7
MDL Number:
MFCD01861642
IUPAC Name:
(8R,9S,13S,14S,17S)-1,4,16,16,17-pentadeuterio-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i6D2,9D,10D,18D
InChI Key:
CQOQDQWUFQDJMK-AGCGVRMISA-N
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
307.22g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
5  
Molecular Weight:
307.445g/mol
Monoisotopic Mass:
307.22g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties