(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)

C12H25N4O7P2Pt- — CID 6711764

IUPAC(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)
SMILESO=NN1CCCCCC1(P(=O)([O-])O)P(=O)(O)O.[NH-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C6H14N2O7P2.C6H12N2.Pt/c9-7-8-5-3-1-2-4-6(8,16(10,11)12)17(13,14)15;7-5-3-1-2-4-6(5)8;/h1-5H2,(H2,10,11,12)(H2,13,14,15);5-8H,1-4H2;/q;-2;+2/p-1
InChIKeyKBIRJZGRRWUGET-UHFFFAOYSA-M
MW594.38 g/mol
LogP2.32
Rot. Bonds3

About (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)

(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+) (PubChem CID 6711764) has the molecular formula C12H25N4O7P2Pt- and a molecular weight of 594.38 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+).

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)
PubChem CID6711764
Molecular FormulaC12H25N4O7P2Pt-
Molecular Weight594.38 g/mol
Exact Mass594.09
IUPAC Name(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)
SMILESO=NN1CCCCCC1(P(=O)([O-])O)P(=O)(O)O.[NH-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C6H14N2O7P2.C6H12N2.Pt/c9-7-8-5-3-1-2-4-6(8,16(10,11)12)17(13,14)15;7-5-3-1-2-4-6(5)8;/h1-5H2,(H2,10,11,12)(H2,13,14,15);5-8H,1-4H2;/q;-2;+2/p-1
InChIKeyKBIRJZGRRWUGET-UHFFFAOYSA-M
XLogP2.32
TPSA198.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)?
The IUPAC name of (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+) (CID 6711764) is (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+).
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+) is O=NN1CCCCCC1(P(=O)([O-])O)P(=O)(O)O.[NH-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)?
The InChIKey is KBIRJZGRRWUGET-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O7P2.C6H12N2.Pt/c9-7-8-5-3-1-2-4-6(8,16(10,11)12)17(13,14)15;7-5-3-1-2-4-6(5)8;/h1-5H2,(H2,10,11,12)(H2,13,14,15);5-8H,1-4H2;/q;-2;+2/p-1.
What are the key properties of (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+)?
(2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+) has a molecular weight of 594.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;hydroxy-(1-nitroso-2-phosphonoazepan-2-yl)phosphinate;platinum(2+) is sourced from PubChem (CID 6711764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).