4,7,10,13-Tetraoxa-16-azaheneicosanoic acid,21-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17-oxo-


Chemical Name: 4,7,10,13-Tetraoxa-16-azaheneicosanoic acid,21-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17-oxo-
CAS Number: 721431-18-1
Product Number: AG005JT7(AGN-PC-0TZZOD)
Synonyms:
MDL No: MFCD08457831
Molecular Formula: C21H37N3O8S
Molecular Weight: 491.5988

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
491.6g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
20
Exact Mass:
491.23g/mol
Monoisotopic Mass:
491.23g/mol
Topological Polar Surface Area:
170A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
598
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:
H302-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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