azanide;bis(aminomethyl)phosphinic acid;zinc

C4H22N6O4P2Zn3-2 — CID 6394823

IUPACazanide;bis(aminomethyl)phosphinic acid;zinc
SMILESNCP(=O)(O)CN.NCP(=O)(O)CN.[NH2-].[NH2-].[Zn].[Zn].[Zn]
InChIInChI=1S/2C2H9N2O2P.2H2N.3Zn/c2*3-1-7(5,6)2-4;;;;;/h2*1-4H2,(H,5,6);2*1H2;;;/q;;2*-1;;;
InChIKeyHFXLBQMWCOKNNO-UHFFFAOYSA-N
MW476.38 g/mol
LogP-0.39
Rot. Bonds4

About azanide;bis(aminomethyl)phosphinic acid;zinc

azanide;bis(aminomethyl)phosphinic acid;zinc (PubChem CID 6394823) has the molecular formula C4H22N6O4P2Zn3-2 and a molecular weight of 476.38 g/mol. Its IUPAC name is azanide;bis(aminomethyl)phosphinic acid;zinc.

Molecular Properties

Compound Nameazanide;bis(aminomethyl)phosphinic acid;zinc
PubChem CID6394823
Molecular FormulaC4H22N6O4P2Zn3-2
Molecular Weight476.38 g/mol
Exact Mass471.91
IUPAC Nameazanide;bis(aminomethyl)phosphinic acid;zinc
SMILESNCP(=O)(O)CN.NCP(=O)(O)CN.[NH2-].[NH2-].[Zn].[Zn].[Zn]
InChIInChI=1S/2C2H9N2O2P.2H2N.3Zn/c2*3-1-7(5,6)2-4;;;;;/h2*1-4H2,(H,5,6);2*1H2;;;/q;;2*-1;;;
InChIKeyHFXLBQMWCOKNNO-UHFFFAOYSA-N
XLogP-0.39
TPSA245.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanide;bis(aminomethyl)phosphinic acid;zinc?
The IUPAC name of azanide;bis(aminomethyl)phosphinic acid;zinc (CID 6394823) is azanide;bis(aminomethyl)phosphinic acid;zinc.
What is the SMILES notation for azanide;bis(aminomethyl)phosphinic acid;zinc?
The canonical SMILES for azanide;bis(aminomethyl)phosphinic acid;zinc is NCP(=O)(O)CN.NCP(=O)(O)CN.[NH2-].[NH2-].[Zn].[Zn].[Zn].
What is the InChIKey of azanide;bis(aminomethyl)phosphinic acid;zinc?
The InChIKey is HFXLBQMWCOKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H9N2O2P.2H2N.3Zn/c2*3-1-7(5,6)2-4;;;;;/h2*1-4H2,(H,5,6);2*1H2;;;/q;;2*-1;;;.
What are the key properties of azanide;bis(aminomethyl)phosphinic acid;zinc?
azanide;bis(aminomethyl)phosphinic acid;zinc has a molecular weight of 476.38 g/mol, XLogP of -0.39, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;bis(aminomethyl)phosphinic acid;zinc is sourced from PubChem (CID 6394823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).