Home Other Building Blocks 17BETA-HYDROXY-4-ANDROSTEN-3-ONE 17-D-GLUCURONIDE SODIUM SALT

17BETA-HYDROXY-4-ANDROSTEN-3-ONE 17-D-GLUCURONIDE SODIUM SALT

CAS No.:
4145-59-9
Catalog Number:
AG00C5LX
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C5LX
Chemical Name:
17BETA-HYDROXY-4-ANDROSTEN-3-ONE 17-D-GLUCURONIDE SODIUM SALT
CAS Number:
4145-59-9
IUPAC Name:
sodium;(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
InChI:
InChI=1S/C25H36O8.Na/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31;/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31);/q;+1/p-1/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-;/m0./s1
InChI Key:
JUXKYFINRYJTDA-XHPOIRKISA-M
Properties
Complexity:
862  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
0
Exact Mass:
486.223g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
486.537g/mol
Monoisotopic Mass:
486.223g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties