L-Leucine, N-formyl-,(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester


Chemical Name: L-Leucine, N-formyl-,(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
CAS Number: 96829-58-2
Product Number: AG0035FN(AGN-PC-0W6H03)
Synonyms:
MDL No: MFCD05662360
Molecular Formula: C29H53NO5
Molecular Weight: 495.7348

Identification/Properties


Properties
MP:
<50 °C
Storage:
2-8℃;
Form:
Solid
Solubility:
DMSO: 19 mg/mL
Computed Properties
Molecular Weight:
495.745g/mol
XLogP3:
10
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
23
Exact Mass:
495.392g/mol
Monoisotopic Mass:
495.392g/mol
Topological Polar Surface Area:
81.7A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
579
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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:
H302-H412
Precautionary Statements:
P273
Class:
-
Packing Group:
-

NMR Spectrum


PNMR/Orlistat-96829-58-2-hnmr.pdf

Other Analytical Data


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