200,000+ products from a single source!
sales@angenechem.com
126753-62-6 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-
CAS No: 126753-62-6 Catalog No: AG000T7A MDL No:
Product Description
Catalog Number:
AG000T7A
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-
CAS Number:
126753-62-6
Molecular Formula:
C25H36BrN5O9
Molecular Weight:
630.4854
IUPAC Name:
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChI:
InChI=1S/C25H36BrN5O9/c26-12-21(32)27-19-3-1-18(2-4-19)11-20-13-30(16-24(37)38)8-7-28(14-22(33)34)5-6-29(15-23(35)36)9-10-31(20)17-25(39)40/h1-4,20H,5-17H2,(H,27,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)
InChI Key:
AOBVUTGWKRRSRO-UHFFFAOYSA-N
SMILES:
BrCC(=O)Nc1ccc(cc1)CC1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
872
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
629.17g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
630.493g/mol
Monoisotopic Mass:
629.17g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.