4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide,(2S,3S,5R)-


Chemical Name: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide,(2S,3S,5R)-
CAS Number: 89786-04-9
Product Number: AG0039KM(AGN-PC-0VPL7N)
Synonyms:
MDL No:
Molecular Formula: C10H12N4O5S
Molecular Weight: 300.2911

Identification/Properties


Computed Properties
Molecular Weight:
300.289g/mol
XLogP3:
-2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
300.053g/mol
Monoisotopic Mass:
300.053g/mol
Topological Polar Surface Area:
131A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
573
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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