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CHX-A''-DTPA(B-355)

CAS No.:
157380-45-5
Catalog Number:
AG00B963
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00B963
Chemical Name:
CHX-A''-DTPA(B-355)
CAS Number:
157380-45-5
IUPAC Name:
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
InChI:
InChI=1S/C26H34N4O10S/c31-22(32)11-28(12-23(33)34)19(9-17-5-7-18(8-6-17)27-16-41)10-29(13-24(35)36)20-3-1-2-4-21(20)30(14-25(37)38)15-26(39)40/h5-8,19-21H,1-4,9-15H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t19-,20+,21+/m0/s1
InChI Key:
QZVREUUCWLULJM-PWRODBHTSA-N
Properties
Complexity:
951  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
594.2g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
594.636g/mol
Monoisotopic Mass:
594.2g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8  
Properties