6-Heptenoic acid,7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, calciumsalt (2:1), (3R,5S,6E)-


Chemical Name: 6-Heptenoic acid,7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, calciumsalt (2:1), (3R,5S,6E)-
CAS Number: 147526-32-7
Product Number: AG001EYE(AGN-PC-0Q0GQE)
Synonyms:
MDL No:
Molecular Formula: C50H46CaF2N2O8
Molecular Weight: 880.9836

Identification/Properties


Computed Properties
Molecular Weight:
880.999g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
14
Exact Mass:
880.285g/mol
Monoisotopic Mass:
880.285g/mol
Topological Polar Surface Area:
187A^2
Heavy Atom Count:
63
Formal Charge:
0
Complexity:
626
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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