dizinc;hydrogen phosphate;carbonate

CHO7PZn2 — CID 142022309

IUPACdizinc;hydrogen phosphate;carbonate
SMILESO=C([O-])[O-].O=P([O-])([O-])O.[Zn+2].[Zn+2]
InChIInChI=1S/CH2O3.H3O4P.2Zn/c2-1(3)4;1-5(2,3)4;;/h(H2,2,3,4);(H3,1,2,3,4);;/q;;2*+2/p-4
InChIKeyDEZXSZZDBFCUQV-UHFFFAOYSA-J
MW286.77 g/mol
LogP-4.64
Rot. Bonds

About dizinc;hydrogen phosphate;carbonate

dizinc;hydrogen phosphate;carbonate (PubChem CID 142022309) has the molecular formula CHO7PZn2 and a molecular weight of 286.77 g/mol. Its IUPAC name is dizinc;hydrogen phosphate;carbonate.

Molecular Properties

Compound Namedizinc;hydrogen phosphate;carbonate
PubChem CID142022309
Molecular FormulaCHO7PZn2
Molecular Weight286.77 g/mol
Exact Mass283.80
IUPAC Namedizinc;hydrogen phosphate;carbonate
SMILESO=C([O-])[O-].O=P([O-])([O-])O.[Zn+2].[Zn+2]
InChIInChI=1S/CH2O3.H3O4P.2Zn/c2-1(3)4;1-5(2,3)4;;/h(H2,2,3,4);(H3,1,2,3,4);;/q;;2*+2/p-4
InChIKeyDEZXSZZDBFCUQV-UHFFFAOYSA-J
XLogP-4.64
TPSA146.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 5-4.64
H-Bond Donors ≤ 51
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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Related Compounds

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trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
bis(chromium(3+));hydrogen phosphate
CID 19708255
zinc bis(dihydrogen phosphate)
CID 11253952
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
hafnium;hydrogen phosphate
CID 160536753
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337

Frequently Asked Questions

What is the IUPAC name of dizinc;hydrogen phosphate;carbonate?
The IUPAC name of dizinc;hydrogen phosphate;carbonate (CID 142022309) is dizinc;hydrogen phosphate;carbonate.
What is the SMILES notation for dizinc;hydrogen phosphate;carbonate?
The canonical SMILES for dizinc;hydrogen phosphate;carbonate is O=C([O-])[O-].O=P([O-])([O-])O.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;hydrogen phosphate;carbonate?
The InChIKey is DEZXSZZDBFCUQV-UHFFFAOYSA-J. The full InChI is InChI=1S/CH2O3.H3O4P.2Zn/c2-1(3)4;1-5(2,3)4;;/h(H2,2,3,4);(H3,1,2,3,4);;/q;;2*+2/p-4.
What are the key properties of dizinc;hydrogen phosphate;carbonate?
dizinc;hydrogen phosphate;carbonate has a molecular weight of 286.77 g/mol, XLogP of -4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;hydrogen phosphate;carbonate is sourced from PubChem (CID 142022309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).