platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate

C12H30N6O8Pt2-2 — CID 133065575

IUPACplatinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate
SMILESNC(CO)CCC(N)CCC(N)CCC(N)CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt].[Pt]
InChIInChI=1S/C12H30N4O2.2NO3.2Pt/c13-9(3-5-11(15)7-17)1-2-10(14)4-6-12(16)8-18;2*2-1(3)4;;/h9-12,17-18H,1-8,13-16H2;;;;/q;2*-1;;
InChIKeyIJASMXYDCMLPPW-UHFFFAOYSA-N
MW776.56 g/mol
LogP-1.86
Rot. Bonds11

About platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate

platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate (PubChem CID 133065575) has the molecular formula C12H30N6O8Pt2-2 and a molecular weight of 776.56 g/mol. Its IUPAC name is platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate.

Molecular Properties

Compound Nameplatinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate
PubChem CID133065575
Molecular FormulaC12H30N6O8Pt2-2
Molecular Weight776.56 g/mol
Exact Mass776.14
IUPAC Nameplatinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate
SMILESNC(CO)CCC(N)CCC(N)CCC(N)CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt].[Pt]
InChIInChI=1S/C12H30N4O2.2NO3.2Pt/c13-9(3-5-11(15)7-17)1-2-10(14)4-6-12(16)8-18;2*2-1(3)4;;/h9-12,17-18H,1-8,13-16H2;;;;/q;2*-1;;
InChIKeyIJASMXYDCMLPPW-UHFFFAOYSA-N
XLogP-1.86
TPSA276.94 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.56
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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

(2S,5R)-2,5-dinitrohexane-1,6-diol
CID 92543376
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
4-amino-5-hydroxypentanoic acid
CID 162240530
[(3S)-3-amino-4-hydroxybutyl]phosphonic acid
CID 89155767
2-aminoheptane-1,5-diol
CID 130023350
sodium;propane-1,2-diol;nitrate
CID 174898627
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
platinum pentanitrate
CID 173027999
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
3-amino-3-chloropropan-1-ol;nitric acid
CID 173398674
(2S)-2-amino-5-methoxyhexan-1-ol
CID 58308158
silver;ethane-1,2-diol;nitrate
CID 87126324

Frequently Asked Questions

What is the IUPAC name of platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate?
The IUPAC name of platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate (CID 133065575) is platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate.
What is the SMILES notation for platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate?
The canonical SMILES for platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate is NC(CO)CCC(N)CCC(N)CCC(N)CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt].[Pt].
What is the InChIKey of platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate?
The InChIKey is IJASMXYDCMLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4O2.2NO3.2Pt/c13-9(3-5-11(15)7-17)1-2-10(14)4-6-12(16)8-18;2*2-1(3)4;;/h9-12,17-18H,1-8,13-16H2;;;;/q;2*-1;;.
What are the key properties of platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate?
platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate has a molecular weight of 776.56 g/mol, XLogP of -1.86, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2,5,8,11-tetraaminododecane-1,12-diol;dinitrate is sourced from PubChem (CID 133065575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).