1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-,5-oxide, (3aS,4S,5R,6aR)-


Chemical Name: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-,5-oxide, (3aS,4S,5R,6aR)-
CAS Number: 3376-83-8
Product Number: AG00C9D2(AGN-PC-0R9B94)
Synonyms:
MDL No:
Molecular Formula: C10H16N2O4S
Molecular Weight: 260.3100

Identification/Properties


Computed Properties
Molecular Weight:
260.308g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
260.083g/mol
Monoisotopic Mass:
260.083g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
360
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
1
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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