L-Proline, 1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-


Chemical Name: L-Proline, 1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-
CAS Number: 64838-55-7
Product Number: AG003BOQ(AGN-PC-0OEXWU)
Synonyms:
MDL No:
Molecular Formula: C11H17NO4S
Molecular Weight: 259.3220

Identification/Properties


Properties
MP:
76-82 °C(lit.)
BP:
464.8 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
259.32g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
259.088g/mol
Monoisotopic Mass:
259.088g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
331
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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