Cas no 112295-51-9 (Platinate(1-),(1,2-cyclohexanediamine-N,N')[2-hydroxy-1,2,3-propanetricarboxylato(3-)-O1,O3]-,hydrogen, [SP-4-2-(trans)]- (9CI))

Platinate(1-),(1,2-cyclohexanediamine-N,N')[2-hydroxy-1,2,3-propanetricarboxylato(3-)-O1,O3]-,hydrogen, [SP-4-2-(trans)]- (9CI) structure
112295-51-9 structure
Product Name:Platinate(1-),(1,2-cyclohexanediamine-N,N')[2-hydroxy-1,2,3-propanetricarboxylato(3-)-O1,O3]-,hydrogen, [SP-4-2-(trans)]- (9CI)
CAS No:112295-51-9
MF:C12H20N2O7Pt
MW:499.374406814575
CID:157297
PubChem ID:3086839
Update Time:2025-04-19

Platinate(1-),(1,2-cyclohexanediamine-N,N')[2-hydroxy-1,2,3-propanetricarboxylato(3-)-O1,O3]-,hydrogen, [SP-4-2-(trans)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Platinate(1-),(1,2-cyclohexanediamine-N,N')[2-hydroxy-1,2,3-propanetricarboxylato(3-)-O1,O3]-,hydrogen, [SP-4-2-(trans)]- (9CI)
    • cyclohexane-1,2-diamine,hydron,2-hydroxypropane-1,2,3-tricarboxylate,platinum(2+)
    • Platinate(1-),(1,2-cyclohexanediamine-N,N')[2-hydroxy-1,2,3-propanetricarboxylato(3-)-O1,O3]-,hydrogen, [SP-4-2-(trans)]- (9C
    • Platinate(1-), (1,2-cyclohexanediamine-N,N')(2-hydroxy-1,2,3-propanetricarboxylato(3-)-01,03)-, hydrogen, (SP-4-2-(trans))-
    • 112295-51-9
    • Inchi: 1S/C6H14N2.C6H8O7.Pt/c7-5-3-1-2-4-6(5)8;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-6H,1-4,7-8H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+2/p-2
    • InChI Key: XHPOYOVFZLSTHT-UHFFFAOYSA-L
    • SMILES: [Pt+2].OC(C(=O)[O-])(CC(=O)[O-])CC(=O)[O-].NC1CCCCC1N.[H+]

Computed Properties

  • Exact Mass: 494.0871
  • Monoisotopic Mass: 499.091845g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 274
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 193?2

Experimental Properties

  • PSA: 192.66
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