Home Sulfos Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodium salt

Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodium salt

CAS No.:
16680-47-0
Catalog Number:
AG00AB69
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AB69
Chemical Name:
Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodium salt
CAS Number:
16680-47-0
MDL Number:
MFCD00468047
IUPAC Name:
sodium;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
InChI:
InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1
InChI Key:
QTTMOCOWZLSYSV-QWAPEVOJSA-M
UNII:
7XY8FW3E68
Properties
Complexity:
682  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
370.085g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.395g/mol
Monoisotopic Mass:
370.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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