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42220-21-3 | Iodocholesterol
CAS No: 42220-21-3 Catalog No: AG00CJ3X MDL No:
Product Description
Catalog Number:
AG00CJ3X
Chemical Name:
Iodocholesterol
CAS Number:
42220-21-3
IUPAC Name:
(3S,8S,9S,10S,13R,14S,17R)-10-((131I)iodanylmethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1/i28+4
InChI Key:
FIOAEFCJGZJUPW-ODFYUTSGSA-N
UNII:
C5F4248GPJ
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
516.253g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
1
Molecular Weight:
516.562g/mol
Monoisotopic Mass:
516.253g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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