Butanoic acid,(1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl ester


Chemical Name: Butanoic acid,(1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl ester
CAS Number: 121104-96-9
Product Number: AG008TF0(AGN-PC-0PFGIV)
Synonyms:
MDL No:
Molecular Formula: C12H21NO5
Molecular Weight: 259.2988

Identification/Properties


Computed Properties
Molecular Weight:
259.302g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
259.142g/mol
Monoisotopic Mass:
259.142g/mol
Topological Polar Surface Area:
90.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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