6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,methyl ester, (3R,5S,6E)-rel-


Chemical Name: 6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,methyl ester, (3R,5S,6E)-rel-
CAS Number: 93957-53-0
Product Number: AG00IHVW(AGN-PC-0W3KFD)
Synonyms:
MDL No:
Molecular Formula: C25H28FNO4
Molecular Weight: 425.4925

Identification/Properties


Computed Properties
Molecular Weight:
425.5g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
9
Exact Mass:
425.2g/mol
Monoisotopic Mass:
425.2g/mol
Topological Polar Surface Area:
71.7A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
604
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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