1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R)-cyclohexane-1,2-diamine;tetrachloroplatinum

2.1.2 InChI

InChI=1S/C6H14N2.4ClH.Pt/c7-5-3-1-2-4-6(5)8;;;;;/h5-6H,1-4,7-8H2;4*1H;/q;;;;;+4/p-4/t5-,6-;;;;;/m1...../s1

2.1.3 InChI Key

VPOCYEOOFRNHNL-RQDPQJJXSA-J

2.1.4 Canonical SMILES

C1CCC(C(C1)N)N.Cl[Pt](Cl)(Cl)Cl

2.1.5 Isomeric SMILES

C1CC[C@H]([C@@H](C1)N)N.Cl[Pt](Cl)(Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Chebi:85605

2. Tetrachloro[(1r,2r)-cyclohexane-1,2-diamine-kappa(2)n,n']platinum

2.3 Create Date

2015-08-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄Cl₄N₂Pt
Molecular Weight	451.1 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	450.952953 g/mol
Monoisotopic Mass	448.955904 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Dexormaplatin