Home Other Building Blocks 9a-Bromobudesonide

9a-Bromobudesonide

CAS No.:
313474-59-8
Catalog Number:
AG00C99L
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C99L
Chemical Name:
9a-Bromobudesonide
CAS Number:
313474-59-8
MDL Number:
MFCD27967040
IUPAC Name:
(1S,2S,4R,8S,9S,11S,12R,13S)-12-bromo-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
InChI:
InChI=1S/C25H33BrO6/c1-4-5-21-31-20-11-17-16-7-6-14-10-15(28)8-9-22(14,2)24(16,26)18(29)12-23(17,3)25(20,32-21)19(30)13-27/h8-10,16-18,20-21,27,29H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22-,23-,24-,25+/m0/s1
InChI Key:
KSJCBAYFDFDDEM-QRXHXLOESA-N
Properties
Complexity:
914  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
508.146g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
509.437g/mol
Monoisotopic Mass:
508.146g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties