phosphoric acid;zinc;octahydrate

H19O12PZn — CID 173057080

IUPACphosphoric acid;zinc;octahydrate
SMILESO.O.O.O.O.O.O.O.O=P(O)(O)O.[Zn]
InChIInChI=1S/H3O4P.8H2O.Zn/c1-5(2,3)4;;;;;;;;;/h(H3,1,2,3,4);8*1H2;
InChIKeyBKCCAUGCSXWMHR-UHFFFAOYSA-N
MW307.50 g/mol
LogP-7.53
Rot. Bonds

About phosphoric acid;zinc;octahydrate

phosphoric acid;zinc;octahydrate (PubChem CID 173057080) has the molecular formula H19O12PZn and a molecular weight of 307.50 g/mol. Its IUPAC name is phosphoric acid;zinc;octahydrate.

Molecular Properties

Compound Namephosphoric acid;zinc;octahydrate
PubChem CID173057080
Molecular FormulaH19O12PZn
Molecular Weight307.50 g/mol
Exact Mass305.99
IUPAC Namephosphoric acid;zinc;octahydrate
SMILESO.O.O.O.O.O.O.O.O=P(O)(O)O.[Zn]
InChIInChI=1S/H3O4P.8H2O.Zn/c1-5(2,3)4;;;;;;;;;/h(H3,1,2,3,4);8*1H2;
InChIKeyBKCCAUGCSXWMHR-UHFFFAOYSA-N
XLogP-7.53
TPSA329.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 5-7.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iron;phosphoric acid;zinc;tetrahydrate
CID 174998881
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;hydrate
CID 22023151
phosphoric acid;zinc
CID 173400996
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
azane;phosphoric acid;hydrate
CID 173222009
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527
phosphane;phosphoric acid;hydrate
CID 157469515
iron;phosphoric acid;zinc
CID 159258122

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;zinc;octahydrate?
The IUPAC name of phosphoric acid;zinc;octahydrate (CID 173057080) is phosphoric acid;zinc;octahydrate.
What is the SMILES notation for phosphoric acid;zinc;octahydrate?
The canonical SMILES for phosphoric acid;zinc;octahydrate is O.O.O.O.O.O.O.O.O=P(O)(O)O.[Zn].
What is the InChIKey of phosphoric acid;zinc;octahydrate?
The InChIKey is BKCCAUGCSXWMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.8H2O.Zn/c1-5(2,3)4;;;;;;;;;/h(H3,1,2,3,4);8*1H2;.
What are the key properties of phosphoric acid;zinc;octahydrate?
phosphoric acid;zinc;octahydrate has a molecular weight of 307.50 g/mol, XLogP of -7.53, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;zinc;octahydrate is sourced from PubChem (CID 173057080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).