Cas no 66862-94-0 (1,2-Diaminocyclohexane platinum bis(glucuronate))

1,2-Diaminocyclohexane platinum bis(glucuronate) structure
66862-94-0 structure
Product Name:1,2-Diaminocyclohexane platinum bis(glucuronate)
CAS No:66862-94-0
MF:C18H32N2O14Pt
MW:695.529689788818
CID:964800
Update Time:2023-08-02

1,2-Diaminocyclohexane platinum bis(glucuronate) Chemical and Physical Properties

Names and Identifiers

    • cyclohexane-1,2-diamine, platinum(+2) cation, 2,3,4,5-tetrahydroxy-6-o xo-hexanoate
    • 1,2-Diaminocyclohexane platinum bis(glucuronate)
    • Platinum(II) 1,2-diaminocyclohexane bis(glucuronate)
    • Platinum, (1,2-cyclohexanediamine-N,N')bis(D-glucuronato-O6)-, (SP-4-3-(cis))-
    • Platinum(2+) hexuronate--cyclohexane-1,2-diamine (1/2/1)
    • Platinum, (1,2-cyclohexanediamine-N,N')bis(D-glucuronato-O1)-, (SP-4-2-(1R-trans))-
    • Inchi: 1S/C6H14N2.2C6H10O7.Pt/c7-5-3-1-2-4-6(5)8;2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h5-6H,1-4,7-8H2;2*1-5,8-11H,(H,12,13);/q;;;+2/p-2
    • InChI Key: WWLGRFHXQRIPSA-UHFFFAOYSA-L
    • SMILES: [Pt+2].OC(C(C(=O)[O-])O)C(C(C=O)O)O.OC(C(C(=O)[O-])O)C(C(C=O)O)O.NC1CCCCC1N

Computed Properties

  • Exact Mass: 695.15
  • Monoisotopic Mass: 695.15
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 8
  • Complexity: 249
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 328

Experimental Properties

  • Boiling Point: 553.4°Cat760mmHg
  • Flash Point: 302.6°C

1,2-Diaminocyclohexane platinum bis(glucuronate) Related Literature

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