D-Mannose,4,4'-O-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-


Chemical Name: D-Mannose,4,4'-O-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-
CAS Number: 129461-18-3
Product Number: AG000Z5U(AGN-PC-0PIZER)
Synonyms:
MDL No:
Molecular Formula: C24H32F3N3O13
Molecular Weight: 627.5184

Identification/Properties


Computed Properties
Molecular Weight:
627.523g/mol
XLogP3:
-3.4
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
18
Rotatable Bond Count:
11
Exact Mass:
627.189g/mol
Monoisotopic Mass:
627.189g/mol
Topological Polar Surface Area:
253A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
927
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
7
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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