(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)

C20H34N2O10Pt+4 — CID 5107317

IUPAC(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)
SMILESO=C([OH2+])C1=CC(O)C(O)C(O)C1.O=C([OH2+])C1=CC(O)C(O)C(O)C1.[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/2C7H10O5.C6H12N2.Pt/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;7-5-3-1-2-4-6(5)8;/h2*1,4-6,8-10H,2H2,(H,11,12);5-8H,1-4H2;/q;;-2;+4/p+2
InChIKeyJMAUJUGRWQRCAE-UHFFFAOYSA-P
MW657.57 g/mol
LogP-2.30
Rot. Bonds2

About (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)

(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium) (PubChem CID 5107317) has the molecular formula C20H34N2O10Pt+4 and a molecular weight of 657.57 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium).

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)
PubChem CID5107317
Molecular FormulaC20H34N2O10Pt+4
Molecular Weight657.57 g/mol
Exact Mass657.18
IUPAC Name(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)
SMILESO=C([OH2+])C1=CC(O)C(O)C(O)C1.O=C([OH2+])C1=CC(O)C(O)C(O)C1.[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/2C7H10O5.C6H12N2.Pt/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;7-5-3-1-2-4-6(5)8;/h2*1,4-6,8-10H,2H2,(H,11,12);5-8H,1-4H2;/q;;-2;+4/p+2
InChIKeyJMAUJUGRWQRCAE-UHFFFAOYSA-P
XLogP-2.30
TPSA248.92 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.57
LogP ≤ 5-2.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)?
The IUPAC name of (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium) (CID 5107317) is (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium).
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium) is O=C([OH2+])C1=CC(O)C(O)C(O)C1.O=C([OH2+])C1=CC(O)C(O)C(O)C1.[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)?
The InChIKey is JMAUJUGRWQRCAE-UHFFFAOYSA-P. The full InChI is InChI=1S/2C7H10O5.C6H12N2.Pt/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;7-5-3-1-2-4-6(5)8;/h2*1,4-6,8-10H,2H2,(H,11,12);5-8H,1-4H2;/q;;-2;+4/p+2.
What are the key properties of (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)?
(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium) has a molecular weight of 657.57 g/mol, XLogP of -2.30, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium) is sourced from PubChem (CID 5107317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).