An official website of the United States government

CID 71576681

PubChem CID
71576681
Structure
CID 71576681_small.png
Molecular Formula
Status
Non-live
Molecular Weight
429.38 g/mol
Dates
  • Create:
    2013-06-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 71576681.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

carbanide;(1R,2R)-cyclohexane-1,2-diamine;oxalic acid;platinum(2+)

2.1.2 InChI

InChI=1S/C6H14N2.C2H2O4.2CH3.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);2*1H3;/q;;2*-1;+2/t5-,6-;;;;/m1..../s1

2.1.3 InChIKey

LCIMLPVSPYBNAG-NDSUJOINSA-N

2.1.4 SMILES

[CH3-].[CH3-].C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)O)O.[Pt+2]

2.2 Molecular Formula

C10H22N2O4Pt

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
429.38 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
429.122752 g/mol
Property Name
Monoisotopic Mass
Property Value
429.122752 g/mol
Property Name
Topological Polar Surface Area
Property Value
127 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
141
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
5
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS