Cas no 149471-21-6 (1,6,12,17,23,28,34,39-Octaazacyclotetratetracontane-2,5,13,16,24,27,35,38-octone,1,12,23,34-tetrahydroxy-)

1,6,12,17,23,28,34,39-Octaazacyclotetratetracontane-2,5,13,16,24,27,35,38-octone,1,12,23,34-tetrahydroxy- structure
149471-21-6 structure
Product Name:1,6,12,17,23,28,34,39-Octaazacyclotetratetracontane-2,5,13,16,24,27,35,38-octone,1,12,23,34-tetrahydroxy-
CAS No:149471-21-6
MF:C36H64N8O12
MW:800.939769744873
CID:140700
Update Time:2024-01-25

1,6,12,17,23,28,34,39-Octaazacyclotetratetracontane-2,5,13,16,24,27,35,38-octone,1,12,23,34-tetrahydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1,6,12,17,23,28,34,39-Octaazacyclotetratetracontane-2,5,13,16,24,27,35,38-octone,1,12,23,34-tetrahydroxy-
    • ProferrioxamineT1
    • 1,6,12,17,23,28,34,39-Octaazacyclotetratetracontane-2,5,13,16,24,27,35,38-octone, 1,12,23,34-tetrahydroxy-
    • Inchi: 1S/C36H64N8O12/c45-29-13-18-34(50)42(54)26-10-3-7-23-39-31(47)15-20-36(52)44(56)28-12-4-8-24-40-32(48)16-19-35(51)43(55)27-11-2-6-22-38-30(46)14-17-33(49)41(53)25-9-1-5-21-37-29/h53-56H,1-28H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)
    • InChI Key: SICKGWUGMGWNEM-UHFFFAOYSA-N
    • SMILES: N1(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O

Experimental Properties

  • Density: 1.162±0.06 g/cm3(Predicted)
  • pka: 8.52±0.20(Predicted)
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