zinc;ethane;hydroxy-methanidyl-oxophosphanium

C3H8O2PZn+ — CID 89482679

IUPACzinc;ethane;hydroxy-methanidyl-oxophosphanium
SMILES[CH2-]C.[CH2-][P+](=O)O.[Zn+2]
InChIInChI=1S/C2H5.CH3O2P.Zn/c1-2;1-4(2)3;/h1H2,2H3;1H2,(H,2,3);/q-1;;+2
InChIKeyGTMNHIAQGHKWAV-UHFFFAOYSA-N
MW172.46 g/mol
LogP1.35
Rot. Bonds

About zinc;ethane;hydroxy-methanidyl-oxophosphanium

zinc;ethane;hydroxy-methanidyl-oxophosphanium (PubChem CID 89482679) has the molecular formula C3H8O2PZn+ and a molecular weight of 172.46 g/mol. Its IUPAC name is zinc;ethane;hydroxy-methanidyl-oxophosphanium.

Molecular Properties

Compound Namezinc;ethane;hydroxy-methanidyl-oxophosphanium
PubChem CID89482679
Molecular FormulaC3H8O2PZn+
Molecular Weight172.46 g/mol
Exact Mass170.95
IUPAC Namezinc;ethane;hydroxy-methanidyl-oxophosphanium
SMILES[CH2-]C.[CH2-][P+](=O)O.[Zn+2]
InChIInChI=1S/C2H5.CH3O2P.Zn/c1-2;1-4(2)3;/h1H2,2H3;1H2,(H,2,3);/q-1;;+2
InChIKeyGTMNHIAQGHKWAV-UHFFFAOYSA-N
XLogP1.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze zinc;ethane;hydroxy-methanidyl-oxophosphanium 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 zinc;ethane;hydroxy-methanidyl-oxophosphanium?
The IUPAC name of zinc;ethane;hydroxy-methanidyl-oxophosphanium (CID 89482679) is zinc;ethane;hydroxy-methanidyl-oxophosphanium.
What is the SMILES notation for zinc;ethane;hydroxy-methanidyl-oxophosphanium?
The canonical SMILES for zinc;ethane;hydroxy-methanidyl-oxophosphanium is [CH2-]C.[CH2-][P+](=O)O.[Zn+2].
What is the InChIKey of zinc;ethane;hydroxy-methanidyl-oxophosphanium?
The InChIKey is GTMNHIAQGHKWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5.CH3O2P.Zn/c1-2;1-4(2)3;/h1H2,2H3;1H2,(H,2,3);/q-1;;+2.
What are the key properties of zinc;ethane;hydroxy-methanidyl-oxophosphanium?
zinc;ethane;hydroxy-methanidyl-oxophosphanium has a molecular weight of 172.46 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;hydroxy-methanidyl-oxophosphanium is sourced from PubChem (CID 89482679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).