L-Proline, 1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-,calcium salt (2:1), (4S)-


Chemical Name: L-Proline, 1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-,calcium salt (2:1), (4S)-
CAS Number: 81938-43-4
Product Number: AG0055W0(AGN-PC-0UL33F)
Synonyms:
MDL No:
Molecular Formula: C44H44CaN2O8S4
Molecular Weight: 897.1668

Identification/Properties


Properties
MP:
>250°C
BP:
646.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
DMSO: >5mg/mL
Computed Properties
Molecular Weight:
897.16g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
14
Exact Mass:
896.161g/mol
Monoisotopic Mass:
896.161g/mol
Topological Polar Surface Area:
256A^2
Heavy Atom Count:
59
Formal Charge:
0
Complexity:
582
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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