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124784-17-4 | N-(4-iodophenyl)cholesteryl 3-carbamate
CAS No: 124784-17-4 Catalog No: AG00A6M2 MDL No:
Product Description
Catalog Number:
AG00A6M2
Chemical Name:
N-(4-iodophenyl)cholesteryl 3-carbamate
CAS Number:
124784-17-4
IUPAC Name:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate
InChI:
InChI=1S/C34H50INO2/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(38-32(37)36-26-12-10-25(35)11-13-26)17-19-33(24,4)31(28)18-20-34(29,30)5/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3,(H,36,37)/t23-,27+,28+,29-,30+,31+,33+,34-/m1/s1
InChI Key:
JQCFZSAQTGDTED-AESKLMAPSA-N
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
631.289g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
631.683g/mol
Monoisotopic Mass:
631.289g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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