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DO3A

CAS No.:
217973-03-0
Catalog Number:
AG00BJQG
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BJQG
Chemical Name:
DO3A
CAS Number:
217973-03-0
MDL Number:
MFCD30609529
IUPAC Name:
trisodium;2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChI:
InChI=1S/C14H26N4O6.3Na/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;;;/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);;;/q;3*+1/p-3
InChI Key:
OKHVSTSMWHWVMK-UHFFFAOYSA-K
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.131g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
412.329g/mol
Monoisotopic Mass:
412.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties