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(2-Azanidylcyclohexyl)azanide;2,3,4,5,6,7-hexahydroxyheptanoic acid;platinum(2+)

PubChem CID
24199991
Structure
(2-Azanidylcyclohexyl)azanide;2,3,4,5,6,7-hexahydroxyheptanoic acid;platinum(2+)_small.png
Molecular Formula
Molecular Weight
533.44 g/mol
Computed by PubChem 2.1 (PubChem release 2021.08.13)
Dates
  • Create:
    2008-02-29
  • Modify:
    2025-01-04

1 Structures

1.1 2D Structure

Chemical Structure Depiction
(2-Azanidylcyclohexyl)azanide;2,3,4,5,6,7-hexahydroxyheptanoic acid;platinum(2+).png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt, too many undefined stereo centers

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-azanidylcyclohexyl)azanide;2,3,4,5,6,7-hexahydroxyheptanoic acid;platinum(2+)
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

2.1.2 InChI

InChI=1S/C7H14O8.C6H12N2.Pt/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;7-5-3-1-2-4-6(5)8;/h2-6,8-13H,1H2,(H,14,15);5-8H,1-4H2;/q;-2;+2
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.3 InChIKey

DTOWPUXHLKGIJG-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.4 SMILES

C1CCC(C(C1)[NH-])[NH-].C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O.[Pt+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C13H26N2O8Pt
Computed by PubChem 2.1 (PubChem release 2019.06.18)

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
533.44 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.08.13)
Property Name
Hydrogen Bond Donor Count
Property Value
9
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
533.133710 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
533.133710 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
161 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
270
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
7
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)

5 Information Sources

CONTENTS