Cas no 126988-89-4 (1,6,11,16,21,26-Hexaazacyclotriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy-)

1,6,11,16,21,26-Hexaazacyclotriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy- structure
126988-89-4 structure
Product Name:1,6,11,16,21,26-Hexaazacyclotriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy-
CAS No:126988-89-4
MF:C24H42N6O9
MW:558.625086307526
CID:167623
Update Time:2024-03-05

1,6,11,16,21,26-Hexaazacyclotriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1,6,11,16,21,26-Hexaazacyclotriacontane-2,5,12,15,22,25-hexone,1,11,21-trihydroxy-
    • DesferrioxamineX2
    • Proferrioxamine X2
    • 1,6,11,16,21,26-Hexaazacyclotriacontane-2,5,12,15,22,25-hexone, 1,11,21-trihydroxy-
    • Inchi: 1S/C24H42N6O9/c31-19-7-10-23(35)29(38)17-5-2-15-27-21(33)9-12-24(36)30(39)18-6-3-14-26-20(32)8-11-22(34)28(37)16-4-1-13-25-19/h37-39H,1-18H2,(H,25,31)(H,26,32)(H,27,33)
    • InChI Key: DDJODPOFWJITNU-UHFFFAOYSA-N
    • SMILES: N1(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O

Computed Properties

  • Exact Mass: 558.30156

Experimental Properties

  • Density: 1.205±0.06 g/cm3(Predicted)
  • PSA: 208.92
  • pka: 8.62±0.20(Predicted)
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