bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate

C12H26N6O8Pt2 — CID 175675477

IUPACbis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-][C@@H]1CCCC[C@H]1[NH-].[NH-][C@@H]1CCCC[C@H]1[NH-].[OH-].[OH-].[Pt+4].[Pt+4]
InChIInChI=1S/2C6H12N2.2NO3.2H2O.2Pt/c2*7-5-3-1-2-4-6(5)8;2*2-1(3)4;;;;/h2*5-8H,1-4H2;;;2*1H2;;/q2*-2;2*-1;;;2*+4/p-2/t2*5-,6-;;;;;;/m11....../s1
InChIKeyLJVIROHDPRLSAG-NFPQPXRDSA-L
MW772.53 g/mol
LogP3.97
Rot. Bonds

About bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate

bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate (PubChem CID 175675477) has the molecular formula C12H26N6O8Pt2 and a molecular weight of 772.53 g/mol. Its IUPAC name is bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate.

Molecular Properties

Compound Namebis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
PubChem CID175675477
Molecular FormulaC12H26N6O8Pt2
Molecular Weight772.53 g/mol
Exact Mass772.11
IUPAC Namebis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-][C@@H]1CCCC[C@H]1[NH-].[NH-][C@@H]1CCCC[C@H]1[NH-].[OH-].[OH-].[Pt+4].[Pt+4]
InChIInChI=1S/2C6H12N2.2NO3.2H2O.2Pt/c2*7-5-3-1-2-4-6(5)8;2*2-1(3)4;;;;/h2*5-8H,1-4H2;;;2*1H2;;/q2*-2;2*-1;;;2*+4/p-2/t2*5-,6-;;;;;;/m11....../s1
InChIKeyLJVIROHDPRLSAG-NFPQPXRDSA-L
XLogP3.97
TPSA287.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500772.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
CID 6333896
(2-azanidylcyclohexyl)azanide;platinum(4+);dihydroxide
CID 50909744
(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
CID 131882850
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
CID 6333545
(2-azanidylcyclohexyl)azanide;carbanide;platinum(4+)
CID 59018646
(2-azanidylcyclopentyl)azanide;oxalate;platinum(4+)
CID 138401620
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
CID 20519095
(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
CID 24843077
[(1R)-2-azanidylcyclohexyl]azanide;diiodoplatinum(2+)
CID 44826276
(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite
CID 59411823
[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
CID 90467721

Frequently Asked Questions

What is the IUPAC name of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate?
The IUPAC name of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate (CID 175675477) is bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate.
What is the SMILES notation for bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate?
The canonical SMILES for bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-][C@@H]1CCCC[C@H]1[NH-].[NH-][C@@H]1CCCC[C@H]1[NH-].[OH-].[OH-].[Pt+4].[Pt+4].
What is the InChIKey of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate?
The InChIKey is LJVIROHDPRLSAG-NFPQPXRDSA-L. The full InChI is InChI=1S/2C6H12N2.2NO3.2H2O.2Pt/c2*7-5-3-1-2-4-6(5)8;2*2-1(3)4;;;;/h2*5-8H,1-4H2;;;2*1H2;;/q2*-2;2*-1;;;2*+4/p-2/t2*5-,6-;;;;;;/m11....../s1.
What are the key properties of bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate?
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate has a molecular weight of 772.53 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate is sourced from PubChem (CID 175675477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).