| CAS Number | 913528-04-8 |
| Catalog Number | AG00J0SV(AGN-PC-0WG8B4) |
| Chemical Name | DO3AM-acetic acid |
| IUPAC Name | 2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChI | InChI=1S/C16H31N7O5/c17-13(24)9-20-1-3-21(10-14(18)25)5-7-23(12-16(27)28)8-6-22(4-2-20)11-15(19)26/h1-12H2,(H2,17,24)(H2,18,25)(H2,19,26)(H,27,28) |
| InChI Key | DFPHZEYJGWLQJE-UHFFFAOYSA-N |
| MDL Number | MFCD00144628 |
| Molecular Formula | C16H31N7O5 |
| Molecular Weight | 401.4612 |
| SMILES | NC(CN1CCN(CCN(CCN(CC1)CC(N)=O)CC(N)=O)CC(=O)O)=O |
| Synonyms | DO3AM-acetic acid,
SCHEMBL15043622,
913528-04-8,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.239g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.468g/mol |
| Monoisotopic Mass | 401.239g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 180A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number