AC1L4V1Y
(3R,6S,9S)-3,6,9-tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Also Known As: 2-Chloro-4'-fluoropropiophenone|3,6,9-Tris(3-(hydroxyamino)propyl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone|(3R,6S,9S)-3,6,9-Tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol|(3R,6S,9S)-3,6,9-tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone|1,4,7,10,13,16-Hexaazacyclooctadecane-2,5,8,11,14,17-hexone, 3,6,9-tris(3-(hydroxyamino)propyl)-|3,6,9-Tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol
| Molecular Formula | C21H39N9O9 |
|---|---|
| Molecular Weight | 561.28705 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 561.28705 |
| Monoisotopic Mass | 561.28705 |
| Heavy Atoms | 39 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 347-58-0 |
|---|---|
| SMILES | C1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CCCNO)CCCNO)CCCNO |
| InChIKey | KGMHLKULJGDHDX-ILXRZTDVSA-N |
Product Overview
AC1L4V1Y (CAS 347-58-0), with molecular formula C21H39N9O9 and molecular weight 561.28705 g/mol. IUPAC: (3R,6S,9S)-3,6,9-tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone.