[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate

C7H26N2O8P2PtS2 — CID 159084298

IUPAC[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate
SMILESCP(=O)(O)OP(=O)(O)O.O.O.S.S.[NH-][C@H]1CCCC[C@@H]1[NH-].[Pt+2]
InChIInChI=1S/C6H12N2.CH6O6P2.2H2O.Pt.2H2S/c7-5-3-1-2-4-6(5)8;1-8(2,3)7-9(4,5)6;;;;;/h5-8H,1-4H2;1H3,(H,2,3)(H2,4,5,6);2*1H2;;2*1H2/q-2;;;;+2;;/t5-,6-;;;;;;/m0....../s1
InChIKeyHYSCINILMQEXSC-CNRUVOIPSA-N
MW587.45 g/mol
LogP0.89
Rot. Bonds2

About [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate

[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate (PubChem CID 159084298) has the molecular formula C7H26N2O8P2PtS2 and a molecular weight of 587.45 g/mol. Its IUPAC name is [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate.

Molecular Properties

Compound Name[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate
PubChem CID159084298
Molecular FormulaC7H26N2O8P2PtS2
Molecular Weight587.45 g/mol
Exact Mass587.03
IUPAC Name[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate
SMILESCP(=O)(O)OP(=O)(O)O.O.O.S.S.[NH-][C@H]1CCCC[C@@H]1[NH-].[Pt+2]
InChIInChI=1S/C6H12N2.CH6O6P2.2H2O.Pt.2H2S/c7-5-3-1-2-4-6(5)8;1-8(2,3)7-9(4,5)6;;;;;/h5-8H,1-4H2;1H3,(H,2,3)(H2,4,5,6);2*1H2;;2*1H2/q-2;;;;+2;;/t5-,6-;;;;;;/m0....../s1
InChIKeyHYSCINILMQEXSC-CNRUVOIPSA-N
XLogP0.89
TPSA214.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.45
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))
CID 161428238
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
acetaldehyde;[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid;[hydroxy(phosphonooxy)phosphoryl]oxy-methylphosphinic acid;methyl(phosphonooxy)phosphinic acid
CID 157192838
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
CID 6333545
(2-azanidylcyclohexyl)azanide;platinum(4+);dihydroxide
CID 50909744
magnesium pyrophosphate hydrate
CID 176515646
(2-azanidylcyclohexyl)azanide;carbanide;platinum(4+)
CID 59018646
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
CID 6333896
(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
CID 131882850
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
CID 91239957

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate?
The IUPAC name of [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate (CID 159084298) is [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate.
What is the SMILES notation for [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate?
The canonical SMILES for [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate is CP(=O)(O)OP(=O)(O)O.O.O.S.S.[NH-][C@H]1CCCC[C@@H]1[NH-].[Pt+2].
What is the InChIKey of [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate?
The InChIKey is HYSCINILMQEXSC-CNRUVOIPSA-N. The full InChI is InChI=1S/C6H12N2.CH6O6P2.2H2O.Pt.2H2S/c7-5-3-1-2-4-6(5)8;1-8(2,3)7-9(4,5)6;;;;;/h5-8H,1-4H2;1H3,(H,2,3)(H2,4,5,6);2*1H2;;2*1H2/q-2;;;;+2;;/t5-,6-;;;;;;/m0....../s1.
What are the key properties of [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate?
[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate has a molecular weight of 587.45 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate is sourced from PubChem (CID 159084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).