Home Other Building Blocks 23-Hydroxybudesonide

23-Hydroxybudesonide

CAS No.:
109423-03-2
Catalog Number:
AG008W5R
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008W5R
Chemical Name:
23-Hydroxybudesonide
CAS Number:
109423-03-2
IUPAC Name:
(1S,2S,4S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6-(1-hydroxypropyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
InChI:
InChI=1S/C25H34O7/c1-4-17(28)22-31-20-10-16-15-6-5-13-9-14(27)7-8-23(13,2)21(15)18(29)11-24(16,3)25(20,32-22)19(30)12-26/h7-9,15-18,20-22,26,28-29H,4-6,10-12H2,1-3H3/t15-,16-,17?,18-,20-,21+,22?,23-,24-,25+/m0/s1
InChI Key:
OBFKEHNWUXWRPI-ONOUISOPSA-N
Properties
Complexity:
895  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
446.23g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
446.54g/mol
Monoisotopic Mass:
446.23g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties