tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate

C24H68Au2Cl6N8O6 — CID 139176759

IUPACtetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
SMILESN[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.O.O.O.O.O.O.[Au+3].[Au+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4C6H14N2.2Au.6ClH.6H2O/c4*7-5-3-1-2-4-6(5)8;;;;;;;;;;;;;;/h4*5-6H,1-4,7-8H2;;;6*1H;6*1H2/q;;;;2*+3;;;;;;;;;;;;/p-6/t4*5-,6+;;;;;;;;;;;;;;
InChIKeyMMXNCJFWWQMOEL-BHVMFAQDSA-H
MW1171.51 g/mol
LogP-22.07
Rot. Bonds

About tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate

tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate (PubChem CID 139176759) has the molecular formula C24H68Au2Cl6N8O6 and a molecular weight of 1171.51 g/mol. Its IUPAC name is tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate.

Molecular Properties

Compound Nametetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
PubChem CID139176759
Molecular FormulaC24H68Au2Cl6N8O6
Molecular Weight1171.51 g/mol
Exact Mass1168.27
IUPAC Nametetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
SMILESN[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.O.O.O.O.O.O.[Au+3].[Au+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4C6H14N2.2Au.6ClH.6H2O/c4*7-5-3-1-2-4-6(5)8;;;;;;;;;;;;;;/h4*5-6H,1-4,7-8H2;;;6*1H;6*1H2/q;;;;2*+3;;;;;;;;;;;;/p-6/t4*5-,6+;;;;;;;;;;;;;;
InChIKeyMMXNCJFWWQMOEL-BHVMFAQDSA-H
XLogP-22.07
TPSA397.16 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.51
LogP ≤ 5-22.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
cyclohexane-1,2-diamine;propane-1,3-diamine
CID 162135343
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
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
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767

Frequently Asked Questions

What is the IUPAC name of tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate?
The IUPAC name of tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate (CID 139176759) is tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate.
What is the SMILES notation for tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate?
The canonical SMILES for tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate is N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.O.O.O.O.O.O.[Au+3].[Au+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate?
The InChIKey is MMXNCJFWWQMOEL-BHVMFAQDSA-H. The full InChI is InChI=1S/4C6H14N2.2Au.6ClH.6H2O/c4*7-5-3-1-2-4-6(5)8;;;;;;;;;;;;;;/h4*5-6H,1-4,7-8H2;;;6*1H;6*1H2/q;;;;2*+3;;;;;;;;;;;;/p-6/t4*5-,6+;;;;;;;;;;;;;;.
What are the key properties of tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate?
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate has a molecular weight of 1171.51 g/mol, XLogP of -22.07, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate is sourced from PubChem (CID 139176759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).