bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine

C10H14N2O12Pt — CID 173094368

IUPACbis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N.O=C(O[O-])C(=O)O[O-].O=C(O[O-])C(=O)O[O-].[Pt+4]
InChIInChI=1S/C6H14N2.2C2H2O6.Pt/c7-5-3-1-2-4-6(5)8;2*3-1(7-5)2(4)8-6;/h5-6H,1-4,7-8H2;2*5-6H;/q;;;+4/p-4/t5-,6-;;;/m1.../s1
InChIKeyUPJMTNWAXOYEGX-SKSSAGQDSA-J
MW549.30 g/mol
LogP-6.54
Rot. Bonds

About bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine

bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 173094368) has the molecular formula C10H14N2O12Pt and a molecular weight of 549.30 g/mol. Its IUPAC name is bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Namebis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID173094368
Molecular FormulaC10H14N2O12Pt
Molecular Weight549.30 g/mol
Exact Mass549.02
IUPAC Namebis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N.O=C(O[O-])C(=O)O[O-].O=C(O[O-])C(=O)O[O-].[Pt+4]
InChIInChI=1S/C6H14N2.2C2H2O6.Pt/c7-5-3-1-2-4-6(5)8;2*3-1(7-5)2(4)8-6;/h5-6H,1-4,7-8H2;2*5-6H;/q;;;+4/p-4/t5-,6-;;;/m1.../s1
InChIKeyUPJMTNWAXOYEGX-SKSSAGQDSA-J
XLogP-6.54
TPSA249.48 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.30
LogP ≤ 5-6.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
acetic acid;cyclohexane-1,2-diamine
CID 67321744
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
2-hydroxyacetic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 88686306
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749

Frequently Asked Questions

What is the IUPAC name of bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine (CID 173094368) is bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1N.O=C(O[O-])C(=O)O[O-].O=C(O[O-])C(=O)O[O-].[Pt+4].
What is the InChIKey of bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is UPJMTNWAXOYEGX-SKSSAGQDSA-J. The full InChI is InChI=1S/C6H14N2.2C2H2O6.Pt/c7-5-3-1-2-4-6(5)8;2*3-1(7-5)2(4)8-6;/h5-6H,1-4,7-8H2;2*5-6H;/q;;;+4/p-4/t5-,6-;;;/m1.../s1.
What are the key properties of bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine?
bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 549.30 g/mol, XLogP of -6.54, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethanediperoxoate);platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 173094368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).