zinc;bis(2-methanidylpropane);phosphoric acid

C8H21O4PZn — CID 157060921

IUPACzinc;bis(2-methanidylpropane);phosphoric acid
SMILESO=P(O)(O)O.[CH2-]C(C)C.[CH2-]C(C)C.[Zn+2]
InChIInChI=1S/2C4H9.H3O4P.Zn/c2*1-4(2)3;1-5(2,3)4;/h2*4H,1H2,2-3H3;(H3,1,2,3,4);/q2*-1;;+2
InChIKeyWHXBWRBTWOPQDF-UHFFFAOYSA-N
MW277.62 g/mol
LogP2.02
Rot. Bonds

About zinc;bis(2-methanidylpropane);phosphoric acid

zinc;bis(2-methanidylpropane);phosphoric acid (PubChem CID 157060921) has the molecular formula C8H21O4PZn and a molecular weight of 277.62 g/mol. Its IUPAC name is zinc;bis(2-methanidylpropane);phosphoric acid.

Molecular Properties

Compound Namezinc;bis(2-methanidylpropane);phosphoric acid
PubChem CID157060921
Molecular FormulaC8H21O4PZn
Molecular Weight277.62 g/mol
Exact Mass276.05
IUPAC Namezinc;bis(2-methanidylpropane);phosphoric acid
SMILESO=P(O)(O)O.[CH2-]C(C)C.[CH2-]C(C)C.[Zn+2]
InChIInChI=1S/2C4H9.H3O4P.Zn/c2*1-4(2)3;1-5(2,3)4;/h2*4H,1H2,2-3H3;(H3,1,2,3,4);/q2*-1;;+2
InChIKeyWHXBWRBTWOPQDF-UHFFFAOYSA-N
XLogP2.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.62
LogP ≤ 52.02
H-Bond Donors ≤ 53
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'}

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Related Compounds

dihydrogen phosphate;tetramethylphosphanium
CID 71359633
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
methanamine;phosphoric acid
CID 173433743
alumane;ethane;phosphoric acid
CID 173118040
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
iron;phosphoric acid
CID 175001141
argon;phosphoric acid
CID 157300411
azane;phosphoric acid
CID 174789402
CID 131878072
CID 131878072
alumane;phosphoric acid
CID 173069752
tetralithium;phosphoric acid
CID 175822939
methane;phosphoric acid
CID 18515646

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-methanidylpropane);phosphoric acid?
The IUPAC name of zinc;bis(2-methanidylpropane);phosphoric acid (CID 157060921) is zinc;bis(2-methanidylpropane);phosphoric acid.
What is the SMILES notation for zinc;bis(2-methanidylpropane);phosphoric acid?
The canonical SMILES for zinc;bis(2-methanidylpropane);phosphoric acid is O=P(O)(O)O.[CH2-]C(C)C.[CH2-]C(C)C.[Zn+2].
What is the InChIKey of zinc;bis(2-methanidylpropane);phosphoric acid?
The InChIKey is WHXBWRBTWOPQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.H3O4P.Zn/c2*1-4(2)3;1-5(2,3)4;/h2*4H,1H2,2-3H3;(H3,1,2,3,4);/q2*-1;;+2.
What are the key properties of zinc;bis(2-methanidylpropane);phosphoric acid?
zinc;bis(2-methanidylpropane);phosphoric acid has a molecular weight of 277.62 g/mol, XLogP of 2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-methanidylpropane);phosphoric acid is sourced from PubChem (CID 157060921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).