Cas no 191108-09-5 (1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester)

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester structure
191108-09-5 structure
Product Name:1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester
CAS No:191108-09-5
MF:C27H50N4O8
MW:558.707908153534
MDL:MFCD32708827
CID:1384744
PubChem ID:101701708
Update Time:2025-04-20

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester
    • MFCD32708827
    • 191108-09-5
    • SY274705
    • 4,8,11-Tris-Boc-1,4,8,11-tetraazacyclotetradecane-1-acetic Acid
    • 2-(4,8,11-Tris(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecan-1-yl)acetic acid
    • MDL： MFCD32708827
    • Inchi： 1S/C27H50N4O8/c1-25(2,3)37-22(34)29-14-11-15-31(24(36)39-27(7,8)9)19-18-30(23(35)38-26(4,5)6)13-10-12-28(16-17-29)20-21(32)33/h10-20H2,1-9H3,(H,32,33)
    • InChI Key： KGMVNFLKVJYADI-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCCN(CC(=O)O)CC1)=O

Computed Properties

  • Exact Mass: 558.3631
  • Monoisotopic Mass: 558.36286457g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 8
  • Complexity: 829
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • PSA: 129.16

1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester Pricemore >>

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1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester Related Literature

191108-09-5 (1,4,8,11-Tetraazacyclotetradecane-1,4,8-tricarboxylic acid,11-(carboxymethyl)-, 1,4,8-tris(1,1-dimethylethyl) ester) Related Products

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