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27953-64-6 | (17S)-21-(Iodoacetoxy)-17-hydroxypregn-4-ene-3,20-dione
CAS No: 27953-64-6 Catalog No: AG00CEJY MDL No:
Product Description
Catalog Number:
AG00CEJY
Chemical Name:
(17S)-21-(Iodoacetoxy)-17-hydroxypregn-4-ene-3,20-dione
CAS Number:
27953-64-6
IUPAC Name:
[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
InChI:
InChI=1S/C23H31IO5/c1-21-8-5-15(25)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,28)19(26)13-29-20(27)12-24/h11,16-18,28H,3-10,12-13H2,1-2H3/t16-,17+,18+,21+,22+,23+/m1/s1
InChI Key:
PVHZKZWSFLQBEH-BZRUYPMDSA-N
Properties
Complexity:
775
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
514.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.4g/mol
Monoisotopic Mass:
514.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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